Home Nitriles 1-(trifluoromethyl)cyclohexane-1-carbonitrile

1-(trifluoromethyl)cyclohexane-1-carbonitrile

CAS No.:
1638519-58-0
Catalog Number:
AG01EJ72
Molecular Formula:
C8H10F3N
Molecular Weight:
177.1669
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Product Description
Catalog Number:
AG01EJ72
Chemical Name:
1-(trifluoromethyl)cyclohexane-1-carbonitrile
CAS Number:
1638519-58-0
Molecular Formula:
C8H10F3N
Molecular Weight:
177.1669
MDL Number:
MFCD31443837
IUPAC Name:
1-(trifluoromethyl)cyclohexane-1-carbonitrile
InChI:
InChI=1S/C8H10F3N/c9-8(10,11)7(6-12)4-2-1-3-5-7/h1-5H2
InChI Key:
LOUOXCHQAHNKPN-UHFFFAOYSA-N
SMILES:
N#CC1(CCCCC1)C(F)(F)F
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.077g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.17g/mol
Monoisotopic Mass:
177.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties