4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine

C14H19F2NO2S — CID 122424276

IUPAC4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine
SMILESCC(C)(C1(F)CCNCC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C14H19F2NO2S/c1-13(2,14(16)6-8-17-9-7-14)20(18,19)12-5-3-4-11(15)10-12/h3-5,10,17H,6-9H2,1-2H3
InChIKeyYNFYMMWBKTTWEA-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.47
Rot. Bonds3

About 4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine

4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine (PubChem CID 122424276) has the molecular formula C14H19F2NO2S and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine.

Molecular Properties

Compound Name4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine
PubChem CID122424276
Molecular FormulaC14H19F2NO2S
Molecular Weight303.37 g/mol
Exact Mass303.11
IUPAC Name4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine
SMILESCC(C)(C1(F)CCNCC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C14H19F2NO2S/c1-13(2,14(16)6-8-17-9-7-14)20(18,19)12-5-3-4-11(15)10-12/h3-5,10,17H,6-9H2,1-2H3
InChIKeyYNFYMMWBKTTWEA-UHFFFAOYSA-N
XLogP2.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine?
The IUPAC name of 4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine (CID 122424276) is 4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine.
What is the SMILES notation for 4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine?
The canonical SMILES for 4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine is CC(C)(C1(F)CCNCC1)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine?
The InChIKey is YNFYMMWBKTTWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2S/c1-13(2,14(16)6-8-17-9-7-14)20(18,19)12-5-3-4-11(15)10-12/h3-5,10,17H,6-9H2,1-2H3.
What are the key properties of 4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine?
4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine has a molecular weight of 303.37 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine is sourced from PubChem (CID 122424276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).