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CAS 1273564-99-0 3,3-Difluorocyclobutanone molecular structure lightbox
CAS RN: 1273564-99-0

3,3-Difluorocyclobutanone

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260331 100g In stock Shanghai Inquiry
Batchno.20251109 100mg In stock Shanghai Inquiry
Batchno.20250609 10g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20260521 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250516 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20250331 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20250526 5g In stock Shanghai, Shenzhen Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250205 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei Inquiry
  • Product code: SSC-034867
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1273564-99-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 0 Out of Stock Shanghai Inquiry
0.25g >98% 0 Out of Stock Shanghai Inquiry
1g >98% 0 Out of Stock Beijing Inquiry
5g >98% 0 Out of Stock Hong Kong Inquiry

1273564-99-0 / 3,3-difluorocyclobutan-1-one

Standard CAS: 1273564-99-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1273564-99-0
Multi CAS
No
Molecular Formula
C4H4F2O
Molecular Weight
106.070000
Exact Mass
106.023021
SMILES
C1C(=O)CC1(F)F
InChI
InChI=1S/C4H4F2O/c5-4(6)1-3(7)2-4/h1-2H2
InChIKey
DOVLQPYYSCACJX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.75
H-bond acceptors
1
Molar refractivity
19.19
TPSA
17.07

LogP / Solubility

WLOGP
0.98
MLOGP
0.86
XLogP3
0.4
Consensus LogP
0.75
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Flammable Irritant
Signal
Danger
GHS Hazard Statements
H225 (33.3%): Highly Flammable liquid and vapor [Danger Flammable liquids] H226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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