1-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)piperidine

C12H13F4NO2S — CID 2928988

IUPAC1-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H13F4NO2S/c13-10-3-5-11(6-4-10)20(18,19)17-7-1-2-9(8-17)12(14,15)16/h3-6,9H,1-2,7-8H2
InChIKeyIBIVFQFIQRCLLX-UHFFFAOYSA-N
MW311.30 g/mol
LogP2.79
Rot. Bonds2

About 1-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)piperidine

1-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)piperidine (PubChem CID 2928988) has the molecular formula C12H13F4NO2S and a molecular weight of 311.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
PubChem CID2928988
Molecular FormulaC12H13F4NO2S
Molecular Weight311.30 g/mol
Exact Mass311.06
IUPAC Name1-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H13F4NO2S/c13-10-3-5-11(6-4-10)20(18,19)17-7-1-2-9(8-17)12(14,15)16/h3-6,9H,1-2,7-8H2
InChIKeyIBIVFQFIQRCLLX-UHFFFAOYSA-N
XLogP2.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)piperidine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)piperidine (CID 2928988) is 1-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)piperidine is O=S(=O)(c1ccc(F)cc1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)piperidine?
The InChIKey is IBIVFQFIQRCLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO2S/c13-10-3-5-11(6-4-10)20(18,19)17-7-1-2-9(8-17)12(14,15)16/h3-6,9H,1-2,7-8H2.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)piperidine?
1-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)piperidine has a molecular weight of 311.30 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 2928988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).