benzyl 3,3-difluorocyclobutane-1-carboxylate

benzyl 3,3-difluorocyclobutane-1-carboxylate

CAS: 935273-86-2

Formula: C12H12F2O2

SMILES: FC1(F)CC(C1)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl 3,3-difluorocyclobutane-1-carboxylate

InChI: InChI=1S/C12H12F2O2/c13-12(14)6-10(7-12)11(15)16-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2

Composition: C (63.71%), H (5.35%), F (16.80%), O (14.14%)

Molar Mass: 226.223

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	226.080535952
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	RRSMHVQRSRIXGF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.62
Topological Polar Surface Area	26.3
Polarizability	20.9
Ring Count	2
Rotatable Bond Count	4

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