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CAS 107873-03-0 2,2-DIFLUOROCYCLOPROPANECARBOXYLIC ACID molecular structure lightbox
CAS RN: 107873-03-0

2,2-DIFLUOROCYCLOPROPANECARBOXYLIC ACID

  • Product code: SSC-009216
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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, 10g, 25g, 0.25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 107873-03-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 4 In Stock Shenzhen Inquiry
10g >97% 4 In Stock Hong Kong Inquiry
25g >97% 3 In Stock Shanghai Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry
100g >97% 2 In Stock Beijing Inquiry

107873-03-0 / 2,2-difluorocyclopropane-1-carboxylic acid

2,2-difluorocyclopropane-1-carboxylic Acid | RefChem:441147 | 679-017-6

Standard CAS: 107873-03-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
107873-03-0
Multi CAS
Yes
Molecular Formula
C4H4F2O2
Molecular Weight
122.070000
Exact Mass
122.017936
SMILES
C1C(C1(F)F)C(=O)O
InChI
InChI=1S/C4H4F2O2/c5-4(6)1-2(4)3(7)8/h2H,1H2,(H,7,8)
InChIKey
KMLMOVWSQPHQME-UHFFFAOYSA-N
Synonyms
2,2-difluorocyclopropane-1-carboxylic Acid RefChem:441147 679-017-6 2,2-Difluorocyclopropanecarboxylic acid MFCD04115828

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
20.69
TPSA
37.3

LogP / Solubility

WLOGP
0.73
MLOGP
0.63
XLogP3
0.6
Consensus LogP
0.65
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.18
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)
-2.95

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (39.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501

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