1,3-bis(trifluoromethyl)benzene

1,3-bis(trifluoromethyl)benzene

CAS: 402-31-3

Formula: C8H4F6

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

IUPAC: 1,3-bis(trifluoromethyl)benzene

InChI: InChI=1S/C8H4F6/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h1-4H

Composition: C (44.88%), H (1.88%), F (53.24%)

Molar Mass: 214.11

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	214.021719107
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	SJBBXFLOLUTGCW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.01
Topological Polar Surface Area	0
Polarizability	13.19
Ring Count	1
Rotatable Bond Count	2

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