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CAS 1093751-02-0 6,6-difluorobicyclo[3.1.0]hexane-3-carboxylic acid molecular structure lightbox
CAS RN: 1093751-02-0

6,6-difluorobicyclo[3.1.0]hexane-3-carboxylic acid

  • Product code: SSC-010644
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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: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 1093751-02-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g >97% 0 Out of Stock Beijing Inquiry

1093751-02-0 / 6,6-difluorobicyclo[3.1.0]hexane-3-carboxylic acid

6,6-DIFLUOROBICYCLO[3.1.0]HEXANE-3-CARBOXYLIC ACID | MFCD15526993 | C7H8F2O2

Standard CAS: 1093751-02-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1093751-02-0
Multi CAS
No
Molecular Formula
C7H8F2O2
Molecular Weight
162.130000
Exact Mass
162.049236
SMILES
C1C(CC2C1C2(F)F)C(=O)O
InChI
InChI=1S/C7H8F2O2/c8-7(9)4-1-3(6(10)11)2-5(4)7/h3-5H,1-2H2,(H,10,11)
InChIKey
IOQVITCQIHHDBC-UHFFFAOYSA-N
Synonyms
6,6-DIFLUOROBICYCLO[3.1.0]HEXANE-3-CARBOXYLIC ACID MFCD15526993 C7H8F2O2 SCHEMBL4022933 IOQVITCQIHHDBC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
32.29
TPSA
37.3

LogP / Solubility

WLOGP
1.36
MLOGP
1.19
XLogP3
1.2
Consensus LogP
1.25
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.87
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)
-2.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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