1-[4-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane

1-[4-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane

CAS: 1048921-30-7

Formula: C11H14F3N3

SMILES: FC(F)(F)C1=CC(=NC=C1)N1CCCNCC1

IUPAC: 1-[4-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane

InChI: InChI=1S/C11H14F3N3/c12-11(13,14)9-2-4-16-10(8-9)17-6-1-3-15-5-7-17/h2,4,8,15H,1,3,5-7H2

Composition: C (53.87%), H (5.75%), F (23.24%), N (17.13%)

Molar Mass: 245.249

Atom Count: 31

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	245.113981952
Formal Charge	0
FSP3	0.55
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	XXPJGABAFZCZLT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.24
Topological Polar Surface Area	28.16
Polarizability	21.69
Ring Count	2
Rotatable Bond Count	2

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90%	<2 Days	1048921-30-7		$51.35-$86.31$51.35$63.37$86.31