1-[(1R)-2-fluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine;dihydrochloride

C12H16Cl2F4N2 — CID 171277985

IUPAC1-[(1R)-2-fluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC[C@@H](c1ccc(F)c(F)c1F)N1CCNCC1
InChIInChI=1S/C12H14F4N2.2ClH/c13-7-10(18-5-3-17-4-6-18)8-1-2-9(14)12(16)11(8)15;;/h1-2,10,17H,3-7H2;2*1H/t10-;;/m0../s1
InChIKeyHXRGPLYBALSZIC-XRIOVQLTSA-N
MW335.17 g/mol
LogP2.86
Rot. Bonds3

About 1-[(1R)-2-fluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine;dihydrochloride

1-[(1R)-2-fluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine;dihydrochloride (PubChem CID 171277985) has the molecular formula C12H16Cl2F4N2 and a molecular weight of 335.17 g/mol. Its IUPAC name is 1-[(1R)-2-fluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-2-fluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine;dihydrochloride
PubChem CID171277985
Molecular FormulaC12H16Cl2F4N2
Molecular Weight335.17 g/mol
Exact Mass334.06
IUPAC Name1-[(1R)-2-fluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC[C@@H](c1ccc(F)c(F)c1F)N1CCNCC1
InChIInChI=1S/C12H14F4N2.2ClH/c13-7-10(18-5-3-17-4-6-18)8-1-2-9(14)12(16)11(8)15;;/h1-2,10,17H,3-7H2;2*1H/t10-;;/m0../s1
InChIKeyHXRGPLYBALSZIC-XRIOVQLTSA-N
XLogP2.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.17
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-3,3,3-trifluoro-1-(2,3,4-trifluorophenyl)propyl]piperazine;dihydrochloride
CID 171303690
1-[(1R)-1-(2,3-difluoro-4-methylphenyl)-2-fluoroethyl]piperazine
CID 171182650
1-[(1R)-1-(2,3,4-trifluorophenyl)butyl]piperazine
CID 171170223
(3R)-3-piperazin-1-yl-3-(2,3,4-trifluorophenyl)propan-1-ol
CID 171173703
1-[(1R)-2-fluoro-1-(2,3,6-trifluorophenyl)ethyl]piperazine;dihydrochloride
CID 171277668
1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171285841
1-[(1R)-1-(2,3,4-trifluorophenyl)hept-6-enyl]piperazine;hydrochloride
CID 171170272
1-[(1R)-2-fluoro-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171284070
1-[(1R)-1-(2,5-difluorophenyl)-2-fluoroethyl]piperazine
CID 171182462
1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine;hydrochloride
CID 171182420
1-[1-(2,3,4-trifluorophenyl)ethyl]piperazine
CID 82478371
1-[(1S)-1-(2-bromo-4-chlorophenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171181808

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-fluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-2-fluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine;dihydrochloride (CID 171277985) is 1-[(1R)-2-fluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-2-fluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-2-fluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine;dihydrochloride is Cl.Cl.FC[C@@H](c1ccc(F)c(F)c1F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-2-fluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine;dihydrochloride?
The InChIKey is HXRGPLYBALSZIC-XRIOVQLTSA-N. The full InChI is InChI=1S/C12H14F4N2.2ClH/c13-7-10(18-5-3-17-4-6-18)8-1-2-9(14)12(16)11(8)15;;/h1-2,10,17H,3-7H2;2*1H/t10-;;/m0../s1.
What are the key properties of 1-[(1R)-2-fluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine;dihydrochloride?
1-[(1R)-2-fluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine;dihydrochloride has a molecular weight of 335.17 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-fluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171277985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).