methyl 3,3,3-trifluoro-2,2-dimethylpropanoate

methyl 3,3,3-trifluoro-2,2-dimethylpropanoate

CAS: 1188911-72-9

Formula: C6H9F3O2

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

IUPAC: methyl 3,3,3-trifluoro-2,2-dimethylpropanoate

InChI: InChI=1S/C6H9F3O2/c1-5(2,4(10)11-3)6(7,8)9/h1-3H3

Composition: C (42.36%), H (5.33%), F (33.50%), O (18.81%)

Molar Mass: 170.131

Atom Count: 20

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	170.055464019
Formal Charge	0
FSP3	0.83
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	ZVXAFVCHEIPHDR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	32.05
Topological Polar Surface Area	26.3
Polarizability	12.2
Ring Count	0
Rotatable Bond Count	3

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