1-{1-[4-(trifluoromethyl)phenyl]cyclohexyl}methanamine

1-{1-[4-(trifluoromethyl)phenyl]cyclohexyl}methanamine

CAS: 944348-11-2

Formula: C14H18F3N

SMILES: NCC1(CCCCC1)C1=CC=C(C=C1)C(F)(F)F

IUPAC: 1-{1-[4-(trifluoromethyl)phenyl]cyclohexyl}methanamine

InChI: InChI=1S/C14H18F3N/c15-14(16,17)12-6-4-11(5-7-12)13(10-18)8-2-1-3-9-13/h4-7H,1-3,8-10,18H2

Composition: C (65.35%), H (7.05%), F (22.15%), N (5.44%)

Molar Mass: 257.3

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	257.139134073
Formal Charge	0
FSP3	0.57
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	PGGTUNCWXAFOIJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.13
Topological Polar Surface Area	26.02
Polarizability	24.91
Ring Count	2
Rotatable Bond Count	3

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Acrotein ChemBio Inc.,

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