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

1-(trifluoromethyl)cyclobutane-1-carbonitrile

CAS No.:
1447949-37-2
Catalog Number:
AG01EJUQ
Molecular Formula:
C6H6F3N
Molecular Weight:
149.1137
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Product Description
Catalog Number:
AG01EJUQ
Chemical Name:
1-(trifluoromethyl)cyclobutane-1-carbonitrile
CAS Number:
1447949-37-2
Molecular Formula:
C6H6F3N
Molecular Weight:
149.1137
MDL Number:
MFCD31442988
IUPAC Name:
1-(trifluoromethyl)cyclobutane-1-carbonitrile
InChI:
InChI=1S/C6H6F3N/c7-6(8,9)5(4-10)2-1-3-5/h1-3H2
InChI Key:
XIQRJTUSJYSVER-UHFFFAOYSA-N
SMILES:
N#CC1(CCC1)C(F)(F)F
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.045g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.116g/mol
Monoisotopic Mass:
149.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties