1-[(1R)-1-(2,3-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride

C13H17Cl2F5N2 — CID 171303614

IUPAC1-[(1R)-1-(2,3-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1cccc([C@@H](CC(F)(F)F)N2CCNCC2)c1F
InChIInChI=1S/C13H15F5N2.2ClH/c14-10-3-1-2-9(12(10)15)11(8-13(16,17)18)20-6-4-19-5-7-20;;/h1-3,11,19H,4-8H2;2*1H/t11-;;/m1../s1
InChIKeyRUHMVZZEMFMTCB-NVJADKKVSA-N
MW367.19 g/mol
LogP3.71
Rot. Bonds3

About 1-[(1R)-1-(2,3-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride

1-[(1R)-1-(2,3-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride (PubChem CID 171303614) has the molecular formula C13H17Cl2F5N2 and a molecular weight of 367.19 g/mol. Its IUPAC name is 1-[(1R)-1-(2,3-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2,3-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
PubChem CID171303614
Molecular FormulaC13H17Cl2F5N2
Molecular Weight367.19 g/mol
Exact Mass366.07
IUPAC Name1-[(1R)-1-(2,3-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1cccc([C@@H](CC(F)(F)F)N2CCNCC2)c1F
InChIInChI=1S/C13H15F5N2.2ClH/c14-10-3-1-2-9(12(10)15)11(8-13(16,17)18)20-6-4-19-5-7-20;;/h1-3,11,19H,4-8H2;2*1H/t11-;;/m1../s1
InChIKeyRUHMVZZEMFMTCB-NVJADKKVSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-3,3,3-trifluoro-1-(2,3,4-trifluorophenyl)propyl]piperazine;dihydrochloride
CID 171303690
2-fluoro-6-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenol;dihydrochloride
CID 171302352
1-[(1S)-3,3,3-trifluoro-1-[3-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171167064
2-fluoro-6-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenol;hydrochloride
CID 171162790
1-[(1S)-1-(2,3-difluorophenyl)propyl]piperazine
CID 171164114
1-[(1R)-3,3,3-trifluoro-1-(2,3,6-trifluorophenyl)propyl]piperazine;dihydrochloride
CID 171303664
1-[(1R)-1-(2,3-difluorophenyl)butyl]piperazine
CID 171169482
1-[(1R)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropyl]piperazine
CID 171169153
1-[(1S)-1-(2-bromophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171162720
1-[(1S)-1-(2,4-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171302360
1-[(1S)-1-(5-chloro-2-fluorophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171163680
2-bromo-6-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenol;dihydrochloride
CID 171303524

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,3-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2,3-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride (CID 171303614) is 1-[(1R)-1-(2,3-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2,3-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2,3-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride is Cl.Cl.Fc1cccc([C@@H](CC(F)(F)F)N2CCNCC2)c1F.
What is the InChIKey of 1-[(1R)-1-(2,3-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride?
The InChIKey is RUHMVZZEMFMTCB-NVJADKKVSA-N. The full InChI is InChI=1S/C13H15F5N2.2ClH/c14-10-3-1-2-9(12(10)15)11(8-13(16,17)18)20-6-4-19-5-7-20;;/h1-3,11,19H,4-8H2;2*1H/t11-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(2,3-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride?
1-[(1R)-1-(2,3-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride has a molecular weight of 367.19 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,3-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride is sourced from PubChem (CID 171303614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).