Home Other Building Blocks 2-(TRIFLUOROMETHYL)CYCLOHEXANAMINE

2-(TRIFLUOROMETHYL)CYCLOHEXANAMINE

CAS No.:
58665-69-3
Catalog Number:
AG00F1TB
Molecular Formula:
C7H12F3N
Molecular Weight:
167.1721
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Product Description
Catalog Number:
AG00F1TB
Chemical Name:
2-(TRIFLUOROMETHYL)CYCLOHEXANAMINE
CAS Number:
58665-69-3
Molecular Formula:
C7H12F3N
Molecular Weight:
167.1721
IUPAC Name:
2-(trifluoromethyl)cyclohexan-1-amine
InChI:
InChI=1S/C7H12F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h5-6H,1-4,11H2
InChI Key:
KHKJUJGNSSJMED-UHFFFAOYSA-N
SMILES:
NC1CCCCC1C(F)(F)F
Properties
Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.092g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.175g/mol
Monoisotopic Mass:
167.092g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties