Home Other Building Blocks 2-[4-(trifluoromethyl)piperidin-1-yl]acetic acid hydrochloride

2-[4-(trifluoromethyl)piperidin-1-yl]acetic acid hydrochloride

CAS No.:
1427378-67-3
Catalog Number:
AG01A4A5
Molecular Formula:
C8H13ClF3NO2
Molecular Weight:
247.6425
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Product Description
Catalog Number:
AG01A4A5
Chemical Name:
2-[4-(trifluoromethyl)piperidin-1-yl]acetic acid hydrochloride
CAS Number:
1427378-67-3
Molecular Formula:
C8H13ClF3NO2
Molecular Weight:
247.6425
MDL Number:
MFCD23144300
IUPAC Name:
2-[4-(trifluoromethyl)piperidin-1-yl]acetic acid;hydrochloride
InChI:
InChI=1S/C8H12F3NO2.ClH/c9-8(10,11)6-1-3-12(4-2-6)5-7(13)14;/h6H,1-5H2,(H,13,14);1H
InChI Key:
JKDPZUMILKHNAM-UHFFFAOYSA-N
SMILES:
OC(=O)CN1CCC(CC1)C(F)(F)F.Cl
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.059g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
247.642g/mol
Monoisotopic Mass:
247.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties