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CAS 1785331-71-6 2-fluorocyclobutane-1-carboxylic acid molecular structure lightbox
CAS RN: 1785331-71-6

2-fluorocyclobutane-1-carboxylic acid

  • Product code: SSC-079384
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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, 5g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • 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 1785331-71-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 0 Out of Stock Beijing Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry

1785331-71-6 / 2-fluorocyclobutane-1-carboxylic acid

Standard CAS: 1785331-71-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1785331-71-6
Multi CAS
No
Molecular Formula
C5H7FO2
Molecular Weight
118.110000
Exact Mass
118.043008
SMILES
C1CC(C1C(=O)O)F
InChI
InChI=1S/C5H7FO2/c6-4-2-1-3(4)5(7)8/h3-4H,1-2H2,(H,7,8)
InChIKey
LYQXOYIXLKILCQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
25.26
TPSA
37.3

LogP / Solubility

WLOGP
0.82
MLOGP
0.71
XLogP3
0.7
Consensus LogP
0.74
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1.12
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.23
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)
-2.86

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H227 (100%): Combustible liquid [Warning Flammable liquids] H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (66.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P370+P378, P403, P403+P233, P405, and P501

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