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CAS 1056467-54-9 2-(3,3-difluorocyclobutyl)ethan-1-ol molecular structure lightbox
CAS RN: 1056467-54-9

2-(3,3-difluorocyclobutyl)ethan-1-ol

  • Product code: SSC-007361
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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: 0.25g
  • 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 1056467-54-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1056467-54-9 / 2-(3,3-difluorocyclobutyl)ethanol

2-(3,3-Difluorocyclobutyl)ethanol | (3,3-Difluorocyclobutyl)ethanol | 2-(3,3-difluorocyclobutyl)ethan-1-ol

Standard CAS: 1056467-54-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1056467-54-9
Multi CAS
No
Molecular Formula
C6H10F2O
Molecular Weight
136.140000
Exact Mass
136.069971
SMILES
C1C(CC1(F)F)CCO
InChI
InChI=1S/C6H10F2O/c7-6(8)3-5(4-6)1-2-9/h5,9H,1-4H2
InChIKey
GDHPGAARGJPJSC-UHFFFAOYSA-N
Synonyms
2-(3,3-Difluorocyclobutyl)ethanol (3,3-Difluorocyclobutyl)ethanol 2-(3,3-difluorocyclobutyl)ethan-1-ol MFCD18790781 3,3-Difluorocyclobutaneethanol

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
29.37
TPSA
20.23

LogP / Solubility

WLOGP
1.41
MLOGP
1.24
XLogP3
1.3
Consensus LogP
1.32
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
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)
-2.55

Drug-likeness / Medicinal Chemistry

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

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