1-[3-(trifluoromethyl)phenyl]sulfanylpiperazine

C11H13F3N2S — CID 134550441

IUPAC1-[3-(trifluoromethyl)phenyl]sulfanylpiperazine
SMILESFC(F)(F)c1cccc(SN2CCNCC2)c1
InChIInChI=1S/C11H13F3N2S/c12-11(13,14)9-2-1-3-10(8-9)17-16-6-4-15-5-7-16/h1-3,8,15H,4-7H2
InChIKeyXZFCTKGMZUWNMT-UHFFFAOYSA-N
MW262.30 g/mol
LogP2.62
Rot. Bonds2

About 1-[3-(trifluoromethyl)phenyl]sulfanylpiperazine

1-[3-(trifluoromethyl)phenyl]sulfanylpiperazine (PubChem CID 134550441) has the molecular formula C11H13F3N2S and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]sulfanylpiperazine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]sulfanylpiperazine
PubChem CID134550441
Molecular FormulaC11H13F3N2S
Molecular Weight262.30 g/mol
Exact Mass262.08
IUPAC Name1-[3-(trifluoromethyl)phenyl]sulfanylpiperazine
SMILESFC(F)(F)c1cccc(SN2CCNCC2)c1
InChIInChI=1S/C11H13F3N2S/c12-11(13,14)9-2-1-3-10(8-9)17-16-6-4-15-5-7-16/h1-3,8,15H,4-7H2
InChIKeyXZFCTKGMZUWNMT-UHFFFAOYSA-N
XLogP2.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]sulfanylpiperazine?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]sulfanylpiperazine (CID 134550441) is 1-[3-(trifluoromethyl)phenyl]sulfanylpiperazine.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]sulfanylpiperazine?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]sulfanylpiperazine is FC(F)(F)c1cccc(SN2CCNCC2)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]sulfanylpiperazine?
The InChIKey is XZFCTKGMZUWNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2S/c12-11(13,14)9-2-1-3-10(8-9)17-16-6-4-15-5-7-16/h1-3,8,15H,4-7H2.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]sulfanylpiperazine?
1-[3-(trifluoromethyl)phenyl]sulfanylpiperazine has a molecular weight of 262.30 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]sulfanylpiperazine is sourced from PubChem (CID 134550441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).