1-[6-(trifluoromethyl)pyridin-3-yl]methanamine

1-[6-(trifluoromethyl)pyridin-3-yl]methanamine

CAS: 387350-39-2

Formula: C7H7F3N2

SMILES: NCC1=CC=C(N=C1)C(F)(F)F

IUPAC: 1-[6-(trifluoromethyl)pyridin-3-yl]methanamine

InChI: InChI=1S/C7H7F3N2/c8-7(9,10)6-2-1-5(3-11)4-12-6/h1-2,4H,3,11H2

Composition: C (47.73%), H (4.01%), F (32.36%), N (15.90%)

Molar Mass: 176.142

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	176.056132722
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XPXVAYGVYBQKDE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.98
Topological Polar Surface Area	38.91
Polarizability	14
Ring Count	1
Rotatable Bond Count	2

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