2-methyl-6-(trifluoromethyl)phenol

2-methyl-6-(trifluoromethyl)phenol

CAS: 124837-37-2

Formula: C8H7F3O

SMILES: CC1=CC=CC(=C1O)C(F)(F)F

IUPAC: 2-methyl-6-(trifluoromethyl)phenol

InChI: InChI=1S/C8H7F3O/c1-5-3-2-4-6(7(5)12)8(9,10)11/h2-4,12H,1H3

Composition: C (54.55%), H (4.01%), F (32.36%), O (9.08%)

Molar Mass: 176.138

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	176.044899334
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	PISMFZKNXHOJFO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.05
Topological Polar Surface Area	20.23
Polarizability	13.92
Ring Count	1
Rotatable Bond Count	1

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