Home Other Building Blocks 2-methyl-5-(trifluoromethyl)piperidine, Mixture of diastereomers

2-methyl-5-(trifluoromethyl)piperidine, Mixture of diastereomers

CAS No.:
1344335-43-8
Catalog Number:
AG01A5JY
Molecular Formula:
C7H12F3N
Molecular Weight:
167.1721
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Product Description
Catalog Number:
AG01A5JY
Chemical Name:
2-methyl-5-(trifluoromethyl)piperidine, Mixture of diastereomers
CAS Number:
1344335-43-8
Molecular Formula:
C7H12F3N
Molecular Weight:
167.1721
MDL Number:
MFCD20311914
IUPAC Name:
2-methyl-5-(trifluoromethyl)piperidine
InChI:
InChI=1S/C7H12F3N/c1-5-2-3-6(4-11-5)7(8,9)10/h5-6,11H,2-4H2,1H3
InChI Key:
XYPLIXZKIGGOEU-UHFFFAOYSA-N
SMILES:
CC1CCC(CN1)C(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:
12A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties