5-fluoro-2-(trifluoromethyl)aniline

5-fluoro-2-(trifluoromethyl)aniline

CAS: 827-20-3

Formula: C7H5F4N

SMILES: NC1=CC(F)=CC=C1C(F)(F)F

IUPAC: 5-fluoro-2-(trifluoromethyl)aniline

InChI: InChI=1S/C7H5F4N/c8-4-1-2-5(6(12)3-4)7(9,10)11/h1-3H,12H2

Composition: C (46.94%), H (2.81%), F (42.43%), N (7.82%)

Molar Mass: 179.118

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	179.035811817
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	LBSBTIMHMYAFFS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.95
Topological Polar Surface Area	26.02
Polarizability	12.58
Ring Count	1
Rotatable Bond Count	1

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