1-[(1S)-2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]piperazine;dihydrochloride

C12H14Cl2F6N2 — CID 171290146

IUPAC1-[(1S)-2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1cc(F)c([C@H](N2CCNCC2)C(F)(F)F)c(F)c1
InChIInChI=1S/C12H12F6N2.2ClH/c13-7-5-8(14)10(9(15)6-7)11(12(16,17)18)20-3-1-19-2-4-20;;/h5-6,11,19H,1-4H2;2*1H/t11-;;/m0../s1
InChIKeyYPFQORMPZYFPRH-IDMXKUIJSA-N
MW371.15 g/mol
LogP3.46
Rot. Bonds2

About 1-[(1S)-2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]piperazine;dihydrochloride

1-[(1S)-2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]piperazine;dihydrochloride (PubChem CID 171290146) has the molecular formula C12H14Cl2F6N2 and a molecular weight of 371.15 g/mol. Its IUPAC name is 1-[(1S)-2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]piperazine;dihydrochloride
PubChem CID171290146
Molecular FormulaC12H14Cl2F6N2
Molecular Weight371.15 g/mol
Exact Mass370.04
IUPAC Name1-[(1S)-2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1cc(F)c([C@H](N2CCNCC2)C(F)(F)F)c(F)c1
InChIInChI=1S/C12H12F6N2.2ClH/c13-7-5-8(14)10(9(15)6-7)11(12(16,17)18)20-3-1-19-2-4-20;;/h5-6,11,19H,1-4H2;2*1H/t11-;;/m0../s1
InChIKeyYPFQORMPZYFPRH-IDMXKUIJSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.15
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-2,2,2-trifluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 171284041
1-[(1R)-2,2,2-trifluoro-1-(3,4,5-trifluorophenyl)ethyl]piperazine;dihydrochloride
CID 171278008
2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-3,5-difluorophenol;dihydrochloride
CID 171297670
1-[(1S)-1-(3-bromo-2,6-difluorophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171290316
1-[(1S)-1-(2,3-dichloro-6-fluorophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171296366
1-[(1R)-1-(3,6-dichloro-2-fluorophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171283772
(2R)-2-piperazin-1-yl-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride
CID 171174411
1-[(1R)-1-(2,4,6-trifluorophenyl)propyl]piperazine;hydrochloride
CID 171169950
2-bromo-4-fluoro-6-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171300601
6-fluoro-3-(trifluoromethyl)-2-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171301961
1-[(1R)-1-(2-chloro-6-fluoro-3-methylphenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171280200
1-[(1R)-2,2,2-trifluoro-1-(2,3,6-trichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171281979

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]piperazine;dihydrochloride (CID 171290146) is 1-[(1S)-2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]piperazine;dihydrochloride is Cl.Cl.Fc1cc(F)c([C@H](N2CCNCC2)C(F)(F)F)c(F)c1.
What is the InChIKey of 1-[(1S)-2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]piperazine;dihydrochloride?
The InChIKey is YPFQORMPZYFPRH-IDMXKUIJSA-N. The full InChI is InChI=1S/C12H12F6N2.2ClH/c13-7-5-8(14)10(9(15)6-7)11(12(16,17)18)20-3-1-19-2-4-20;;/h5-6,11,19H,1-4H2;2*1H/t11-;;/m0../s1.
What are the key properties of 1-[(1S)-2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]piperazine;dihydrochloride?
1-[(1S)-2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]piperazine;dihydrochloride has a molecular weight of 371.15 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171290146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).