1-[(1R)-1-(2-chlorophenyl)-2,2,2-trifluoroethyl]piperazine

C12H14ClF3N2 — CID 171180957

IUPAC1-[(1R)-1-(2-chlorophenyl)-2,2,2-trifluoroethyl]piperazine
SMILESFC(F)(F)[C@@H](c1ccccc1Cl)N1CCNCC1
InChIInChI=1S/C12H14ClF3N2/c13-10-4-2-1-3-9(10)11(12(14,15)16)18-7-5-17-6-8-18/h1-4,11,17H,5-8H2/t11-/m1/s1
InChIKeyZLKUBLAFJXVORU-LLVKDONJSA-N
MW278.70 g/mol
LogP2.85
Rot. Bonds2

About 1-[(1R)-1-(2-chlorophenyl)-2,2,2-trifluoroethyl]piperazine

1-[(1R)-1-(2-chlorophenyl)-2,2,2-trifluoroethyl]piperazine (PubChem CID 171180957) has the molecular formula C12H14ClF3N2 and a molecular weight of 278.70 g/mol. Its IUPAC name is 1-[(1R)-1-(2-chlorophenyl)-2,2,2-trifluoroethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2-chlorophenyl)-2,2,2-trifluoroethyl]piperazine
PubChem CID171180957
Molecular FormulaC12H14ClF3N2
Molecular Weight278.70 g/mol
Exact Mass278.08
IUPAC Name1-[(1R)-1-(2-chlorophenyl)-2,2,2-trifluoroethyl]piperazine
SMILESFC(F)(F)[C@@H](c1ccccc1Cl)N1CCNCC1
InChIInChI=1S/C12H14ClF3N2/c13-10-4-2-1-3-9(10)11(12(14,15)16)18-7-5-17-6-8-18/h1-4,11,17H,5-8H2/t11-/m1/s1
InChIKeyZLKUBLAFJXVORU-LLVKDONJSA-N
XLogP2.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine
CID 171178275
1-[(1S)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine
CID 171174920
1-[(1S)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171285064
1-[(1R)-2,2,2-trifluoro-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171280306
1-[(1R)-1-(5-bromo-2-chlorophenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
CID 171179269
1-[(1S)-1-(2-chloro-3-pyridinyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171285753
3-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]benzene-1,2-diol
CID 171178759
1-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]piperazine
CID 171178960
2-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]benzonitrile;dihydrochloride
CID 171275417
3-chloro-N,N-dimethyl-4-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]aniline
CID 171294528
1-[(1R)-1-(4-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]piperazine
CID 171179102
1-[(1S)-1-(2-chloro-6-methylphenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
CID 171177438

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-chlorophenyl)-2,2,2-trifluoroethyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2-chlorophenyl)-2,2,2-trifluoroethyl]piperazine (CID 171180957) is 1-[(1R)-1-(2-chlorophenyl)-2,2,2-trifluoroethyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2-chlorophenyl)-2,2,2-trifluoroethyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2-chlorophenyl)-2,2,2-trifluoroethyl]piperazine is FC(F)(F)[C@@H](c1ccccc1Cl)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2-chlorophenyl)-2,2,2-trifluoroethyl]piperazine?
The InChIKey is ZLKUBLAFJXVORU-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14ClF3N2/c13-10-4-2-1-3-9(10)11(12(14,15)16)18-7-5-17-6-8-18/h1-4,11,17H,5-8H2/t11-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-chlorophenyl)-2,2,2-trifluoroethyl]piperazine?
1-[(1R)-1-(2-chlorophenyl)-2,2,2-trifluoroethyl]piperazine has a molecular weight of 278.70 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-chlorophenyl)-2,2,2-trifluoroethyl]piperazine is sourced from PubChem (CID 171180957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).