4,4,4-trifluorobutanoic acid

4,4,4-trifluorobutanoic acid

CAS: 406-93-9

Formula: C4H5F3O2

SMILES: OC(=O)CCC(F)(F)F

IUPAC: 4,4,4-trifluorobutanoic acid

InChI: InChI=1S/C4H5F3O2/c5-4(6,7)2-1-3(8)9/h1-2H2,(H,8,9)

Composition: C (33.82%), H (3.55%), F (40.12%), O (22.52%)

Molar Mass: 142.077

Atom Count: 14

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	142.02416389
Formal Charge	0
FSP3	0.75
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	WTUCTMYLCMVYEX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	22.65
Topological Polar Surface Area	37.3
Polarizability	8.54
Ring Count	0
Rotatable Bond Count	3

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