methyl 4,4,4-trifluorobutanoate

methyl 4,4,4-trifluorobutanoate

CAS: 2365-82-4

Formula: C5H7F3O2

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

IUPAC: methyl 4,4,4-trifluorobutanoate

InChI: InChI=1S/C5H7F3O2/c1-10-4(9)2-3-5(6,7)8/h2-3H2,1H3

Composition: C (38.47%), H (4.52%), F (36.51%), O (20.50%)

Molar Mass: 156.104

Atom Count: 17

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	156.039813954
Formal Charge	0
FSP3	0.8
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	RVNWLMWNUJPCQD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	27.42
Topological Polar Surface Area	26.3
Polarizability	10.45
Ring Count	0
Rotatable Bond Count	4

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