1-[(1S)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine

C13H15F5N2 — CID 171291204

IUPAC1-[(1S)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine
SMILESFC(F)[C@H](c1ccccc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C13H15F5N2/c14-12(15)11(20-7-5-19-6-8-20)9-3-1-2-4-10(9)13(16,17)18/h1-4,11-12,19H,5-8H2/t11-/m0/s1
InChIKeyQLECAJWTUXXGHH-NSHDSACASA-N
MW294.27 g/mol
LogP2.92
Rot. Bonds3

About 1-[(1S)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine

1-[(1S)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine (PubChem CID 171291204) has the molecular formula C13H15F5N2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 1-[(1S)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine
PubChem CID171291204
Molecular FormulaC13H15F5N2
Molecular Weight294.27 g/mol
Exact Mass294.12
IUPAC Name1-[(1S)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine
SMILESFC(F)[C@H](c1ccccc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C13H15F5N2/c14-12(15)11(20-7-5-19-6-8-20)9-3-1-2-4-10(9)13(16,17)18/h1-4,11-12,19H,5-8H2/t11-/m0/s1
InChIKeyQLECAJWTUXXGHH-NSHDSACASA-N
XLogP2.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-2-fluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171181940
1-[(S)-phenyl-[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 7047794
(2S)-2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol
CID 171173695
1-[(1R)-2,2-dimethyl-1-[2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171170430
1-[(1S)-1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171293872
1-[(1R)-3-methyl-1-[2-(trifluoromethyl)phenyl]butyl]piperazine
CID 171170492
1-[(1S)-1-(2-ethoxyphenyl)-2,2-difluoroethyl]piperazine
CID 171288181
1-[(S)-furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171176421
1-[(1S)-4-methyl-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine
CID 171310211
1-[(1S)-2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171165085
1-[(2,3-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 4305876
1-[1-[2-(trifluoromethyl)phenyl]propyl]-1,4-diazepane
CID 3580285

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine?
The IUPAC name of 1-[(1S)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine (CID 171291204) is 1-[(1S)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine.
What is the SMILES notation for 1-[(1S)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine?
The canonical SMILES for 1-[(1S)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine is FC(F)[C@H](c1ccccc1C(F)(F)F)N1CCNCC1.
What is the InChIKey of 1-[(1S)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine?
The InChIKey is QLECAJWTUXXGHH-NSHDSACASA-N. The full InChI is InChI=1S/C13H15F5N2/c14-12(15)11(20-7-5-19-6-8-20)9-3-1-2-4-10(9)13(16,17)18/h1-4,11-12,19H,5-8H2/t11-/m0/s1.
What are the key properties of 1-[(1S)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine?
1-[(1S)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine has a molecular weight of 294.27 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine is sourced from PubChem (CID 171291204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).