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CAS 117284-59-0 2-(2,2-Difluoro-cyclopropyl)-ethanol molecular structure lightbox
CAS RN: 117284-59-0

2-(2,2-Difluoro-cyclopropyl)-ethanol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260521 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-017144
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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: 1g
  • Available purity: ≥95%
  • 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 117284-59-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

117284-59-0 / 2-(2,2-difluorocyclopropyl)ethanol

2-(2,2-Difluorocyclopropyl)ethanol | Cyclopropaneethanol, 2,2-difluoro- | MFCD18250117

Standard CAS: 117284-59-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
117284-59-0
Multi CAS
No
Molecular Formula
C5H8F2O
Molecular Weight
122.110000
Exact Mass
122.054321
SMILES
C1C(C1(F)F)CCO
InChI
InChI=1S/C5H8F2O/c6-5(7)3-4(5)1-2-8/h4,8H,1-3H2
InChIKey
JQUVNIOCBXWPHL-UHFFFAOYSA-N
Synonyms
2-(2,2-Difluorocyclopropyl)ethanol Cyclopropaneethanol, 2,2-difluoro- MFCD18250117 2-(2,2-DIFLUOROCYCLOPROPYL)ETHAN-1-OL 2-(2,2-Difluoro-cyclopropyl)-ethanol

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
24.76
TPSA
20.23

LogP / Solubility

WLOGP
1.02
MLOGP
0.89
XLogP3
1
Consensus LogP
0.97
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
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)
-2.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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