Home Other Building Blocks 2,2,2-trifluoro-1-[1-(4-methylcyclohexyl)-1H-pyrazol-4-yl]ethan-1-one, Mixture of diastereomers

2,2,2-trifluoro-1-[1-(4-methylcyclohexyl)-1H-pyrazol-4-yl]ethan-1-one, Mixture of diastereomers

CAS No.:
1495711-38-0
Catalog Number:
AG01EJWD
Molecular Formula:
C12H15F3N2O
Molecular Weight:
260.2555
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Product Description
Catalog Number:
AG01EJWD
Chemical Name:
2,2,2-trifluoro-1-[1-(4-methylcyclohexyl)-1H-pyrazol-4-yl]ethan-1-one, Mixture of diastereomers
CAS Number:
1495711-38-0
Molecular Formula:
C12H15F3N2O
Molecular Weight:
260.2555
MDL Number:
MFCD21433323
IUPAC Name:
2,2,2-trifluoro-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]ethanone
InChI:
InChI=1S/C12H15F3N2O/c1-8-2-4-10(5-3-8)17-7-9(6-16-17)11(18)12(13,14)15/h6-8,10H,2-5H2,1H3
InChI Key:
YLWNQAANAPEFAQ-UHFFFAOYSA-N
SMILES:
CC1CCC(CC1)n1ncc(c1)C(=O)C(F)(F)F
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.114g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.26g/mol
Monoisotopic Mass:
260.114g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties