2-(3-fluorophenyl)-1-(3,3,3-trifluoropropyl)piperazine

C13H16F4N2 — CID 120756509

IUPAC2-(3-fluorophenyl)-1-(3,3,3-trifluoropropyl)piperazine
SMILESFc1cccc(C2CNCCN2CCC(F)(F)F)c1
InChIInChI=1S/C13H16F4N2/c14-11-3-1-2-10(8-11)12-9-18-5-7-19(12)6-4-13(15,16)17/h1-3,8,12,18H,4-7,9H2
InChIKeyJPNRQAHTXXNQLP-UHFFFAOYSA-N
MW276.28 g/mol
LogP2.72
Rot. Bonds3

About 2-(3-fluorophenyl)-1-(3,3,3-trifluoropropyl)piperazine

2-(3-fluorophenyl)-1-(3,3,3-trifluoropropyl)piperazine (PubChem CID 120756509) has the molecular formula C13H16F4N2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(3,3,3-trifluoropropyl)piperazine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(3,3,3-trifluoropropyl)piperazine
PubChem CID120756509
Molecular FormulaC13H16F4N2
Molecular Weight276.28 g/mol
Exact Mass276.12
IUPAC Name2-(3-fluorophenyl)-1-(3,3,3-trifluoropropyl)piperazine
SMILESFc1cccc(C2CNCCN2CCC(F)(F)F)c1
InChIInChI=1S/C13H16F4N2/c14-11-3-1-2-10(8-11)12-9-18-5-7-19(12)6-4-13(15,16)17/h1-3,8,12,18H,4-7,9H2
InChIKeyJPNRQAHTXXNQLP-UHFFFAOYSA-N
XLogP2.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768681
2-(3-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
CID 120756895
1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(3-fluorophenyl)piperazine
CID 138041241
2-(3-fluorophenyl)-1-(2-propylsulfonylethyl)piperazine;hydrochloride
CID 120756264
3-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 120756565
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide;hydrochloride
CID 120756714
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
3-[2-(3-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 120756233
2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 120768574
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 120846511
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 120756803
2-tert-butyl-4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120768598

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(3,3,3-trifluoropropyl)piperazine?
The IUPAC name of 2-(3-fluorophenyl)-1-(3,3,3-trifluoropropyl)piperazine (CID 120756509) is 2-(3-fluorophenyl)-1-(3,3,3-trifluoropropyl)piperazine.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(3,3,3-trifluoropropyl)piperazine?
The canonical SMILES for 2-(3-fluorophenyl)-1-(3,3,3-trifluoropropyl)piperazine is Fc1cccc(C2CNCCN2CCC(F)(F)F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(3,3,3-trifluoropropyl)piperazine?
The InChIKey is JPNRQAHTXXNQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2/c14-11-3-1-2-10(8-11)12-9-18-5-7-19(12)6-4-13(15,16)17/h1-3,8,12,18H,4-7,9H2.
What are the key properties of 2-(3-fluorophenyl)-1-(3,3,3-trifluoropropyl)piperazine?
2-(3-fluorophenyl)-1-(3,3,3-trifluoropropyl)piperazine has a molecular weight of 276.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(3,3,3-trifluoropropyl)piperazine is sourced from PubChem (CID 120756509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).