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1260679-09-1 | 4-Piperidinecarboxylic acid, 4-(trifluoromethyl)-, methyl ester
CAS No: 1260679-09-1 Catalog No: AG000R2H MDL No:
Product Description
Catalog Number:
AG000R2H
Chemical Name:
4-Piperidinecarboxylic acid, 4-(trifluoromethyl)-, methyl ester
CAS Number:
1260679-09-1
Molecular Formula:
C8H12F3NO2
Molecular Weight:
211.1816
IUPAC Name:
methyl 4-(trifluoromethyl)piperidine-4-carboxylate
InChI:
InChI=1S/C8H12F3NO2/c1-14-6(13)7(8(9,10)11)2-4-12-5-3-7/h12H,2-5H2,1H3
InChI Key:
HPSMEFWLEASCHA-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCNCC1)C(F)(F)F
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.082g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.184g/mol
Monoisotopic Mass:
211.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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