1-[(1R)-1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride

C12H15Cl3F4N2 — CID 171274947

IUPAC1-[(1R)-1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc([C@@H](N2CCNCC2)C(F)(F)F)cc1Cl
InChIInChI=1S/C12H13ClF4N2.2ClH/c13-9-7-8(1-2-10(9)14)11(12(15,16)17)19-5-3-18-4-6-19;;/h1-2,7,11,18H,3-6H2;2*1H/t11-;;/m1../s1
InChIKeyUZLHTQMZNHBGIL-NVJADKKVSA-N
MW369.62 g/mol
LogP3.83
Rot. Bonds2

About 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride

1-[(1R)-1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride (PubChem CID 171274947) has the molecular formula C12H15Cl3F4N2 and a molecular weight of 369.62 g/mol. Its IUPAC name is 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
PubChem CID171274947
Molecular FormulaC12H15Cl3F4N2
Molecular Weight369.62 g/mol
Exact Mass368.02
IUPAC Name1-[(1R)-1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc([C@@H](N2CCNCC2)C(F)(F)F)cc1Cl
InChIInChI=1S/C12H13ClF4N2.2ClH/c13-9-7-8(1-2-10(9)14)11(12(15,16)17)19-5-3-18-4-6-19;;/h1-2,7,11,18H,3-6H2;2*1H/t11-;;/m1../s1
InChIKeyUZLHTQMZNHBGIL-NVJADKKVSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.62
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(3,4-dichlorophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171287544
1-[(1S)-2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 171288462
1-[(1R)-1-(3-bromo-4-chlorophenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
CID 171179093
1-[(1R)-2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171277142
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171274950
1-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]piperazine
CID 171178960
1-[1-(3-chloro-4-fluorophenyl)ethyl]piperazine
CID 61057488
1-[(1R)-2,2,2-trifluoro-1-(3,4,5-trifluorophenyl)ethyl]piperazine;dihydrochloride
CID 171278008
1-[(1S)-1-(2,3-dichloro-6-fluorophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171296366
1-[(1R)-1-(4-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]piperazine
CID 171179102
4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]benzene-1,2-diol
CID 171178281
1-(3-chloro-4-fluorophenyl)-N-methyl-1-piperazin-1-ylmethanamine
CID 116954827

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride (CID 171274947) is 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride is Cl.Cl.Fc1ccc([C@@H](N2CCNCC2)C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride?
The InChIKey is UZLHTQMZNHBGIL-NVJADKKVSA-N. The full InChI is InChI=1S/C12H13ClF4N2.2ClH/c13-9-7-8(1-2-10(9)14)11(12(15,16)17)19-5-3-18-4-6-19;;/h1-2,7,11,18H,3-6H2;2*1H/t11-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride?
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride has a molecular weight of 369.62 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171274947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).