3,4-bis(trifluoromethyl)aniline

3,4-bis(trifluoromethyl)aniline

CAS: 2965-07-3

Formula: C8H5F6N

SMILES: NC1=CC(=C(C=C1)C(F)(F)F)C(F)(F)F

IUPAC: 3,4-bis(trifluoromethyl)aniline

InChI: InChI=1S/C8H5F6N/c9-7(10,11)5-2-1-4(15)3-6(5)8(12,13)14/h1-3H,15H2

Composition: C (41.94%), H (2.20%), F (49.75%), N (6.11%)

Molar Mass: 229.125

Atom Count: 20

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	229.032618143
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	PSDVFXQQNBDDJC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.71
Topological Polar Surface Area	26.02
Polarizability	14.36
Ring Count	1
Rotatable Bond Count	2

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