Home Nitriles 1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carbonitrile

1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carbonitrile

CAS No.:
944351-63-7
Catalog Number:
AG019Q98
Molecular Formula:
C14H14F3N
Molecular Weight:
253.2629
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Product Description
Catalog Number:
AG019Q98
Chemical Name:
1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carbonitrile
CAS Number:
944351-63-7
Molecular Formula:
C14H14F3N
Molecular Weight:
253.2629
MDL Number:
MFCD11036831
IUPAC Name:
1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carbonitrile
InChI:
InChI=1S/C14H14F3N/c15-14(16,17)12-6-4-5-11(9-12)13(10-18)7-2-1-3-8-13/h4-6,9H,1-3,7-8H2
InChI Key:
IQGDWHBCFPWBSV-UHFFFAOYSA-N
SMILES:
N#CC1(CCCCC1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.108g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.268g/mol
Monoisotopic Mass:
253.108g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties