1-[(1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine

C12H12F6N2 — CID 171179703

IUPAC1-[(1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine
SMILESFc1ccc([C@@H](N2CCNCC2)C(F)(F)F)c(F)c1F
InChIInChI=1S/C12H12F6N2/c13-8-2-1-7(9(14)10(8)15)11(12(16,17)18)20-5-3-19-4-6-20/h1-2,11,19H,3-6H2/t11-/m1/s1
InChIKeyBVNCTVHPJQMZTL-LLVKDONJSA-N
MW298.23 g/mol
LogP2.61
Rot. Bonds2

About 1-[(1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine

1-[(1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine (PubChem CID 171179703) has the molecular formula C12H12F6N2 and a molecular weight of 298.23 g/mol. Its IUPAC name is 1-[(1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine
PubChem CID171179703
Molecular FormulaC12H12F6N2
Molecular Weight298.23 g/mol
Exact Mass298.09
IUPAC Name1-[(1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine
SMILESFc1ccc([C@@H](N2CCNCC2)C(F)(F)F)c(F)c1F
InChIInChI=1S/C12H12F6N2/c13-8-2-1-7(9(14)10(8)15)11(12(16,17)18)20-5-3-19-4-6-20/h1-2,11,19H,3-6H2/t11-/m1/s1
InChIKeyBVNCTVHPJQMZTL-LLVKDONJSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 52.61
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)-1-(4-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]piperazine
CID 171179102
1-[(1R)-1-(5-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]piperazine
CID 171178960
1-[(1R)-3,3,3-trifluoro-1-(2,3,4-trifluorophenyl)propyl]piperazine;dihydrochloride
CID 171303690
1-[(1S)-2,2,2-trifluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171176590
1-[1-(2,3,4-trifluorophenyl)ethyl]piperazine
CID 82478371
3-fluoro-4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171273283
1-[(1R)-1-(4-chloro-2-methylphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171180965
1-[(1S)-1-(4-chloro-2-methylphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171177581
1-[(1S)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethyl]piperazine
CID 171176606
3-bromo-2-fluoro-6-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol
CID 171299840
1-[(1R)-2-fluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine;dihydrochloride
CID 171277985
1-[(1R)-2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethyl]piperazine
CID 171178950

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine?
The IUPAC name of 1-[(1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine (CID 171179703) is 1-[(1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine.
What is the SMILES notation for 1-[(1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine?
The canonical SMILES for 1-[(1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine is Fc1ccc([C@@H](N2CCNCC2)C(F)(F)F)c(F)c1F.
What is the InChIKey of 1-[(1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine?
The InChIKey is BVNCTVHPJQMZTL-LLVKDONJSA-N. The full InChI is InChI=1S/C12H12F6N2/c13-8-2-1-7(9(14)10(8)15)11(12(16,17)18)20-5-3-19-4-6-20/h1-2,11,19H,3-6H2/t11-/m1/s1.
What are the key properties of 1-[(1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine?
1-[(1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine has a molecular weight of 298.23 g/mol, XLogP of 2.61, 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-(2,3,4-trifluorophenyl)ethyl]piperazine is sourced from PubChem (CID 171179703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).