3-fluoro-5-(trifluoromethyl)phenol

3-fluoro-5-(trifluoromethyl)phenol

CAS: 172333-87-8

Formula: C7H4F4O

SMILES: OC1=CC(F)=CC(=C1)C(F)(F)F

IUPAC: 3-fluoro-5-(trifluoromethyl)phenol

InChI: InChI=1S/C7H4F4O/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3,12H

Composition: C (46.68%), H (2.24%), F (42.19%), O (8.88%)

Molar Mass: 180.102

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	180.019827401
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	VNTKPYNBATZMSV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	34.23
Topological Polar Surface Area	20.23
Polarizability	12.15
Ring Count	1
Rotatable Bond Count	1

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