4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]sulfonylethyl]piperidine

C14H17F4NO2S — CID 122424270

IUPAC4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]sulfonylethyl]piperidine
SMILESO=S(=O)(CC(F)C1CCNCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F4NO2S/c15-13(10-5-7-19-8-6-10)9-22(20,21)12-3-1-11(2-4-12)14(16,17)18/h1-4,10,13,19H,5-9H2
InChIKeyZLVXNVRRLVIQDJ-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.82
Rot. Bonds4

About 4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]sulfonylethyl]piperidine

4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]sulfonylethyl]piperidine (PubChem CID 122424270) has the molecular formula C14H17F4NO2S and a molecular weight of 339.35 g/mol. Its IUPAC name is 4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]sulfonylethyl]piperidine.

Molecular Properties

Compound Name4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]sulfonylethyl]piperidine
PubChem CID122424270
Molecular FormulaC14H17F4NO2S
Molecular Weight339.35 g/mol
Exact Mass339.09
IUPAC Name4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]sulfonylethyl]piperidine
SMILESO=S(=O)(CC(F)C1CCNCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F4NO2S/c15-13(10-5-7-19-8-6-10)9-22(20,21)12-3-1-11(2-4-12)14(16,17)18/h1-4,10,13,19H,5-9H2
InChIKeyZLVXNVRRLVIQDJ-UHFFFAOYSA-N
XLogP2.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]sulfonylethyl]piperidine?
The IUPAC name of 4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]sulfonylethyl]piperidine (CID 122424270) is 4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]sulfonylethyl]piperidine.
What is the SMILES notation for 4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]sulfonylethyl]piperidine?
The canonical SMILES for 4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]sulfonylethyl]piperidine is O=S(=O)(CC(F)C1CCNCC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]sulfonylethyl]piperidine?
The InChIKey is ZLVXNVRRLVIQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4NO2S/c15-13(10-5-7-19-8-6-10)9-22(20,21)12-3-1-11(2-4-12)14(16,17)18/h1-4,10,13,19H,5-9H2.
What are the key properties of 4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]sulfonylethyl]piperidine?
4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]sulfonylethyl]piperidine has a molecular weight of 339.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]sulfonylethyl]piperidine is sourced from PubChem (CID 122424270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).