1-[3-fluoro-4-(2-fluoropyridin-4-yl)phenyl]methanamine hydrochloride

1-[3-fluoro-4-(2-fluoropyridin-4-yl)phenyl]methanamine hydrochloride

CAS: 1449117-60-5

Formula: C12H11ClF2N2

SMILES: Cl.NCC1=CC(F)=C(C=C1)C1=CC(F)=NC=C1

IUPAC: 1-[3-fluoro-4-(2-fluoropyridin-4-yl)phenyl]methanamine hydrochloride

InChI: InChI=1S/C12H10F2N2.ClH/c13-11-5-8(7-15)1-2-10(11)9-3-4-16-12(14)6-9;/h1-6H,7,15H2;1H

Composition: C (56.15%), H (4.32%), Cl (13.81%), F (14.80%), N (10.91%)

Molar Mass: 256.68

Atom Count: 28

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	256.0578824
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QDGRYYBNDXFJHT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.96
Topological Polar Surface Area	38.91
Polarizability	23.04
Ring Count	2
Rotatable Bond Count	2

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