1-[(1R)-1-(3,4-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride

C13H16ClF5N2 — CID 171172047

IUPAC1-[(1R)-1-(3,4-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
SMILESCl.Fc1ccc([C@@H](CC(F)(F)F)N2CCNCC2)cc1F
InChIInChI=1S/C13H15F5N2.ClH/c14-10-2-1-9(7-11(10)15)12(8-13(16,17)18)20-5-3-19-4-6-20;/h1-2,7,12,19H,3-6,8H2;1H/t12-;/m1./s1
InChIKeyRTUXCCFCWGJHAJ-UTONKHPSSA-N
MW330.73 g/mol
LogP3.29
Rot. Bonds3

About 1-[(1R)-1-(3,4-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride

1-[(1R)-1-(3,4-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride (PubChem CID 171172047) has the molecular formula C13H16ClF5N2 and a molecular weight of 330.73 g/mol. Its IUPAC name is 1-[(1R)-1-(3,4-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3,4-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
PubChem CID171172047
Molecular FormulaC13H16ClF5N2
Molecular Weight330.73 g/mol
Exact Mass330.09
IUPAC Name1-[(1R)-1-(3,4-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
SMILESCl.Fc1ccc([C@@H](CC(F)(F)F)N2CCNCC2)cc1F
InChIInChI=1S/C13H15F5N2.ClH/c14-10-2-1-9(7-11(10)15)12(8-13(16,17)18)20-5-3-19-4-6-20;/h1-2,7,12,19H,3-6,8H2;1H/t12-;/m1./s1
InChIKeyRTUXCCFCWGJHAJ-UTONKHPSSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.73
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine;dihydrochloride
CID 171280439
1-[(1R)-3,3,3-trifluoro-1-(4-iodophenyl)propyl]piperazine;dihydrochloride
CID 171303530
1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine
CID 95454803
1-[(1S)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171163089
1-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172722
1-[(1S)-1-(5-chloro-2-fluorophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171163680
1-[1-(3,4-difluorophenyl)-3-methylbutyl]piperazine
CID 82305169
1-[(1R)-3,3,3-trifluoro-1-(2,3,6-trifluorophenyl)propyl]piperazine;dihydrochloride
CID 171303664
1-[(1S)-3,3,3-trifluoro-1-(2-fluoro-5-iodophenyl)propyl]piperazine;hydrochloride
CID 171167843
1-[(1S)-3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)propyl]piperazine;dihydrochloride
CID 171303090
1-[(1R)-3,3,3-trifluoro-1-(2,3,4-trifluorophenyl)propyl]piperazine;dihydrochloride
CID 171303690
1-[(1R)-1-(4-ethylphenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171303944

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3,4-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-(3,4-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride (CID 171172047) is 1-[(1R)-1-(3,4-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3,4-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-(3,4-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride is Cl.Fc1ccc([C@@H](CC(F)(F)F)N2CCNCC2)cc1F.
What is the InChIKey of 1-[(1R)-1-(3,4-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride?
The InChIKey is RTUXCCFCWGJHAJ-UTONKHPSSA-N. The full InChI is InChI=1S/C13H15F5N2.ClH/c14-10-2-1-9(7-11(10)15)12(8-13(16,17)18)20-5-3-19-4-6-20;/h1-2,7,12,19H,3-6,8H2;1H/t12-;/m1./s1.
What are the key properties of 1-[(1R)-1-(3,4-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride?
1-[(1R)-1-(3,4-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride has a molecular weight of 330.73 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3,4-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride is sourced from PubChem (CID 171172047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).