1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine

C13H16F4N2 — CID 117109406

IUPAC1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine
SMILESCC(c1ccc(F)cc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C13H16F4N2/c1-9(19-6-4-18-5-7-19)11-3-2-10(14)8-12(11)13(15,16)17/h2-3,8-9,18H,4-7H2,1H3
InChIKeyQPCJRRKVVVZDFW-UHFFFAOYSA-N
MW276.28 g/mol
LogP2.81
Rot. Bonds2

About 1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine

1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine (PubChem CID 117109406) has the molecular formula C13H16F4N2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine
PubChem CID117109406
Molecular FormulaC13H16F4N2
Molecular Weight276.28 g/mol
Exact Mass276.12
IUPAC Name1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine
SMILESCC(c1ccc(F)cc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C13H16F4N2/c1-9(19-6-4-18-5-7-19)11-3-2-10(14)8-12(11)13(15,16)17/h2-3,8-9,18H,4-7H2,1H3
InChIKeyQPCJRRKVVVZDFW-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[4-bromo-2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 117109408
1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171166814
1-[(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171180338
1-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride
CID 171171459
1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylbutyl]piperazine;dihydrochloride
CID 171305445
1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine;hydrochloride
CID 171166040
1-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine
CID 171311061
1-[(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171180339
1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride
CID 171162993
1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
CID 171166024
1-[(S)-cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 171166055
1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]but-3-enyl]piperazine
CID 171166015

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine?
The IUPAC name of 1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine (CID 117109406) is 1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine.
What is the SMILES notation for 1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine?
The canonical SMILES for 1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine is CC(c1ccc(F)cc1C(F)(F)F)N1CCNCC1.
What is the InChIKey of 1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine?
The InChIKey is QPCJRRKVVVZDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2/c1-9(19-6-4-18-5-7-19)11-3-2-10(14)8-12(11)13(15,16)17/h2-3,8-9,18H,4-7H2,1H3.
What are the key properties of 1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine?
1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine has a molecular weight of 276.28 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine is sourced from PubChem (CID 117109406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).