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CAS 110482-96-7 Ethyl 2,2-difluoropent-4-enoate molecular structure lightbox
CAS RN: 110482-96-7

Ethyl 2,2-difluoropent-4-enoate

Product Availability

Choose a grade to view its available package options.

5 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250211 100g In stock Tianjin Inquiry
Batchno.20251207 10g Out of stock Inquiry
Batchno.20260128 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250428 25g Out of stock Inquiry
Batchno.20250611 5g Out of stock Inquiry
  • Product code: SSC-011542
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 100g, 10g, 25g, 500g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 110482-96-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 2 In Stock Shanghai Inquiry
100g >95% 2 In Stock Hong Kong Inquiry
10g >95% 1 In Stock Shanghai Inquiry
25g >95% 0 Out of Stock Hong Kong Inquiry
500g >95% 0 Out of Stock Shenzhen Inquiry

110482-96-7 / ethyl 2,2-difluoropent-4-enoate

4,4-Difluorocyclohexanecarboxylic acid | 4,4-difluorocyclohexane-1-carboxylic Acid | DTXSID00381285

Standard CAS: 110482-96-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
110482-96-7
Multi CAS
Yes
Molecular Formula
C7H10F2O2
Molecular Weight
164.150000
Exact Mass
164.064886
SMILES
CCOC(=O)C(CC=C)(F)F
InChI
InChI=1S/C7H10F2O2/c1-3-5-7(8,9)6(10)11-4-2/h3H,1,4-5H2,2H3
InChIKey
YWORETBGSIWDRB-UHFFFAOYSA-N
Synonyms
4,4-Difluorocyclohexanecarboxylic acid 4,4-difluorocyclohexane-1-carboxylic Acid DTXSID00381285 RefChem:507315 DTXCID20332310

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
36.39
TPSA
26.3

LogP / Solubility

WLOGP
1.76
MLOGP
1.55
XLogP3
2.3
Consensus LogP
1.87
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
Class (SILICOS-IT)
Moderately 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)
-2.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Flammable Irritant
Signal
Warning
GHS Hazard Statements
H226 (100%): 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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