1-[(1S)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine

C12H14BrF3N2 — CID 171174920

IUPAC1-[(1S)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine
SMILESFC(F)(F)[C@H](c1ccccc1Br)N1CCNCC1
InChIInChI=1S/C12H14BrF3N2/c13-10-4-2-1-3-9(10)11(12(14,15)16)18-7-5-17-6-8-18/h1-4,11,17H,5-8H2/t11-/m0/s1
InChIKeyMJKKUVYELWEOBZ-NSHDSACASA-N
MW323.16 g/mol
LogP2.96
Rot. Bonds2

About 1-[(1S)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine

1-[(1S)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine (PubChem CID 171174920) has the molecular formula C12H14BrF3N2 and a molecular weight of 323.16 g/mol. Its IUPAC name is 1-[(1S)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine
PubChem CID171174920
Molecular FormulaC12H14BrF3N2
Molecular Weight323.16 g/mol
Exact Mass322.03
IUPAC Name1-[(1S)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine
SMILESFC(F)(F)[C@H](c1ccccc1Br)N1CCNCC1
InChIInChI=1S/C12H14BrF3N2/c13-10-4-2-1-3-9(10)11(12(14,15)16)18-7-5-17-6-8-18/h1-4,11,17H,5-8H2/t11-/m0/s1
InChIKeyMJKKUVYELWEOBZ-NSHDSACASA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1S)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine
CID 171178275
1-[(1S)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171285064
1-[(1R)-1-(2-chlorophenyl)-2,2,2-trifluoroethyl]piperazine
CID 171180957
1-[(1R)-2,2,2-trifluoro-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171280306
1-[(1S)-1-(2-bromo-3-pyridinyl)-2,2,2-trifluoroethyl]piperazine
CID 171289102
1-[(1S)-1-(2-bromophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171162720
3-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]benzene-1,2-diol
CID 171178759
1-[(1S)-1-(2-bromophenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171162714
2-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]benzonitrile;dihydrochloride
CID 171275417
3-bromo-2-fluoro-6-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol
CID 171299840
1-[(1R)-1-(2-bromo-5-methoxyphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171179469
1-[(1R)-1-(2-bromophenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182257

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine?
The IUPAC name of 1-[(1S)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine (CID 171174920) is 1-[(1S)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine is FC(F)(F)[C@H](c1ccccc1Br)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine?
The InChIKey is MJKKUVYELWEOBZ-NSHDSACASA-N. The full InChI is InChI=1S/C12H14BrF3N2/c13-10-4-2-1-3-9(10)11(12(14,15)16)18-7-5-17-6-8-18/h1-4,11,17H,5-8H2/t11-/m0/s1.
What are the key properties of 1-[(1S)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine?
1-[(1S)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine has a molecular weight of 323.16 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2-bromophenyl)-2,2,2-trifluoroethyl]piperazine is sourced from PubChem (CID 171174920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).