1-(4-chlorophenyl)-4-(1,2,2-trifluoroethyl)piperazine

C12H14ClF3N2 — CID 175523140

IUPAC1-(4-chlorophenyl)-4-(1,2,2-trifluoroethyl)piperazine
SMILESFC(F)C(F)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H14ClF3N2/c13-9-1-3-10(4-2-9)17-5-7-18(8-6-17)12(16)11(14)15/h1-4,11-12H,5-8H2
InChIKeyNREITIYWUZVETR-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.02
Rot. Bonds3

About 1-(4-chlorophenyl)-4-(1,2,2-trifluoroethyl)piperazine

1-(4-chlorophenyl)-4-(1,2,2-trifluoroethyl)piperazine (PubChem CID 175523140) has the molecular formula C12H14ClF3N2 and a molecular weight of 278.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(1,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(1,2,2-trifluoroethyl)piperazine
PubChem CID175523140
Molecular FormulaC12H14ClF3N2
Molecular Weight278.71 g/mol
Exact Mass278.08
IUPAC Name1-(4-chlorophenyl)-4-(1,2,2-trifluoroethyl)piperazine
SMILESFC(F)C(F)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H14ClF3N2/c13-9-1-3-10(4-2-9)17-5-7-18(8-6-17)12(16)11(14)15/h1-4,11-12H,5-8H2
InChIKeyNREITIYWUZVETR-UHFFFAOYSA-N
XLogP3.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-chlorophenyl)piperazin-1-yl]ethanamine
CID 152771280
potassium [4-(4-chlorophenyl)piperazin-1-yl]methyl-trifluoroboranuide
CID 55233979
2-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)acetic acid
CID 75365752
(2S)-2-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)acetic acid
CID 97135003
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylbutan-1-amine
CID 62419651
3-[4-(4-chlorophenyl)piperazin-1-yl]butanethioamide
CID 54945091
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 46744278
CID 10917762
CID 10917762
2-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine
CID 47439803
4-[2-[4-(4-chlorophenyl)piperazin-1-yl]propyl]aniline
CID 54215483
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
4-[4-(4-chlorophenyl)piperazin-1-yl]-5-fluorobenzene-1,2-diamine
CID 11267189

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(1,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-(1,2,2-trifluoroethyl)piperazine (CID 175523140) is 1-(4-chlorophenyl)-4-(1,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(1,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-(1,2,2-trifluoroethyl)piperazine is FC(F)C(F)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(1,2,2-trifluoroethyl)piperazine?
The InChIKey is NREITIYWUZVETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2/c13-9-1-3-10(4-2-9)17-5-7-18(8-6-17)12(16)11(14)15/h1-4,11-12H,5-8H2.
What are the key properties of 1-(4-chlorophenyl)-4-(1,2,2-trifluoroethyl)piperazine?
1-(4-chlorophenyl)-4-(1,2,2-trifluoroethyl)piperazine has a molecular weight of 278.71 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(1,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 175523140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).