3,3-difluorocyclobutane-1-carboxylic acid

3,3-difluorocyclobutane-1-carboxylic acid

CAS: 107496-54-8

Formula: C5H6F2O2

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

IUPAC: 3,3-difluorocyclobutane-1-carboxylic acid

InChI: InChI=1S/C5H6F2O2/c6-5(7)1-3(2-5)4(8)9/h3H,1-2H2,(H,8,9)

Composition: C (44.13%), H (4.44%), F (27.92%), O (23.51%)

Molar Mass: 136.098

Atom Count: 15

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	136.033585759
Formal Charge	0
FSP3	0.8
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PLRCVBKYFLWAAT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	25.24
Topological Polar Surface Area	37.3
Polarizability	9.58
Ring Count	1
Rotatable Bond Count	1

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