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1372103-92-8

1372103-92-8 | Ethanone, 2,2,2-trifluoro-1-(4-piperidinyl)-, hydrochloride (1:1)

CAS No: 1372103-92-8 Catalog No: AG0012Y8 MDL No:MFCD22041637

Product Description

Catalog Number:
AG0012Y8
Chemical Name:
Ethanone, 2,2,2-trifluoro-1-(4-piperidinyl)-, hydrochloride (1:1)
CAS Number:
1372103-92-8
Molecular Formula:
C7H11ClF3NO
Molecular Weight:
217.6165
MDL Number:
MFCD22041637
IUPAC Name:
2,2,2-trifluoro-1-piperidin-4-ylethanone;hydrochloride
InChI:
InChI=1S/C7H10F3NO.ClH/c8-7(9,10)6(12)5-1-3-11-4-2-5;/h5,11H,1-4H2;1H
InChI Key:
CAKJJXHURHQPRK-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)C1CCNCC1.Cl

Properties

Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.048g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
217.616g/mol
Monoisotopic Mass:
217.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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