1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanamine

1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanamine

CAS: 261763-07-9

Formula: C8H6ClF4N

SMILES: NCC1=CC(=CC(Cl)=C1F)C(F)(F)F

IUPAC: 1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanamine

InChI: InChI=1S/C8H6ClF4N/c9-6-2-5(8(11,12)13)1-4(3-14)7(6)10/h1-2H,3,14H2

Composition: C (42.22%), H (2.66%), Cl (15.58%), F (33.39%), N (6.15%)

Molar Mass: 227.59

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	227.0124895
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	IMINUBYBSZMWRS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.53
Topological Polar Surface Area	26.02
Polarizability	16.7
Ring Count	1
Rotatable Bond Count	2

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