3-fluoro-2,2-dimethylpropanoic acid

3-fluoro-2,2-dimethylpropanoic acid

CAS: 64241-77-6

Formula: C5H9FO2

SMILES: CC(C)(CF)C(O)=O

IUPAC: 3-fluoro-2,2-dimethylpropanoic acid

InChI: InChI=1S/C5H9FO2/c1-5(2,3-6)4(7)8/h3H2,1-2H3,(H,7,8)

Composition: C (49.99%), H (7.55%), F (15.82%), O (26.64%)

Molar Mass: 120.123

Atom Count: 17

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	120.058657693
Formal Charge	0
FSP3	0.8
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CKRJGDYKYQUNIM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	26.43
Topological Polar Surface Area	37.3
Polarizability	10.31
Ring Count	0
Rotatable Bond Count	2

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