1-[(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride

C13H14ClF7N2 — CID 171180339

IUPAC1-[(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
SMILESCl.Fc1ccc([C@@H](N2CCNCC2)C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C13H13F7N2.ClH/c14-8-1-2-9(10(7-8)12(15,16)17)11(13(18,19)20)22-5-3-21-4-6-22;/h1-2,7,11,21H,3-6H2;1H/t11-;/m1./s1
InChIKeyGMGUFVVRSHPRSH-RFVHGSKJSA-N
MW366.71 g/mol
LogP3.77
Rot. Bonds2

About 1-[(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride

1-[(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride (PubChem CID 171180339) has the molecular formula C13H14ClF7N2 and a molecular weight of 366.71 g/mol. Its IUPAC name is 1-[(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
PubChem CID171180339
Molecular FormulaC13H14ClF7N2
Molecular Weight366.71 g/mol
Exact Mass366.07
IUPAC Name1-[(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
SMILESCl.Fc1ccc([C@@H](N2CCNCC2)C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C13H13F7N2.ClH/c14-8-1-2-9(10(7-8)12(15,16)17)11(13(18,19)20)22-5-3-21-4-6-22;/h1-2,7,11,21H,3-6H2;1H/t11-;/m1./s1
InChIKeyGMGUFVVRSHPRSH-RFVHGSKJSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.71
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171180338
1-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride
CID 171171459
1-[(1S)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethyl]piperazine
CID 171176606
1-[(1R)-2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethyl]piperazine
CID 171178950
1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 117109406
4-fluoro-2-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;hydrochloride
CID 171175019
1-[(1R)-2,2,2-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171180130
1-[(1S)-2,2,2-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171176764
1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylbutyl]piperazine;dihydrochloride
CID 171305445
1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
CID 171166024
1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine;hydrochloride
CID 171166040
1-[(S)-cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 171166055

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride (CID 171180339) is 1-[(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride is Cl.Fc1ccc([C@@H](N2CCNCC2)C(F)(F)F)c(C(F)(F)F)c1.
What is the InChIKey of 1-[(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride?
The InChIKey is GMGUFVVRSHPRSH-RFVHGSKJSA-N. The full InChI is InChI=1S/C13H13F7N2.ClH/c14-8-1-2-9(10(7-8)12(15,16)17)11(13(18,19)20)22-5-3-21-4-6-22;/h1-2,7,11,21H,3-6H2;1H/t11-;/m1./s1.
What are the key properties of 1-[(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride?
1-[(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride has a molecular weight of 366.71 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride is sourced from PubChem (CID 171180339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).