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3-(fluoromethyl)cyclobutane-1-carboxylic acid

3-(fluoromethyl)cyclobutane-1-carboxylic acid

CAS: 1613330-51-0

Formula: C6H9FO2

SMILES: OC(=O)C1CC(CF)C1

IUPAC: 3-(fluoromethyl)cyclobutane-1-carboxylic acid

InChI: InChI=1S/C6H9FO2/c7-3-4-1-5(2-4)6(8)9/h4-5H,1-3H2,(H,8,9)

Composition: C (54.54%), H (6.87%), F (14.38%), O (24.22%)

Molar Mass: 132.134

Atom Count: 18

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 132.058657693
Formal Charge 0
FSP3 0.83
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey CXSJFWUBXJRTNT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 29.35
Topological Polar Surface Area 37.3
Polarizability 11.42
Ring Count 1
Rotatable Bond Count 2

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