1-fluoro-2-methoxy-4-(trifluoromethyl)benzene

1-fluoro-2-methoxy-4-(trifluoromethyl)benzene

CAS: 261951-78-4

Formula: C8H6F4O

SMILES: COC1=CC(=CC=C1F)C(F)(F)F

IUPAC: 1-fluoro-2-methoxy-4-(trifluoromethyl)benzene

InChI: InChI=1S/C8H6F4O/c1-13-7-4-5(8(10,11)12)2-3-6(7)9/h2-4H,1H3

Composition: C (49.50%), H (3.12%), F (39.15%), O (8.24%)

Molar Mass: 194.129

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	194.035477465
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	AXEAQZIYCQTHQV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.71
Topological Polar Surface Area	9.23
Polarizability	13.96
Ring Count	1
Rotatable Bond Count	2

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