ethane;3-fluoro-6-(2-fluorophenyl)piperidin-2-one

C13H17F2NO — CID 145079036

IUPACethane;3-fluoro-6-(2-fluorophenyl)piperidin-2-one
SMILESCC.O=C1NC(c2ccccc2F)CCC1F
InChIInChI=1S/C11H11F2NO.C2H6/c12-8-4-2-1-3-7(8)10-6-5-9(13)11(15)14-10;1-2/h1-4,9-10H,5-6H2,(H,14,15);1-2H3
InChIKeySBAXLGAHXDNPJQ-UHFFFAOYSA-N
MW241.28 g/mol
LogP3.14
Rot. Bonds1

About ethane;3-fluoro-6-(2-fluorophenyl)piperidin-2-one

ethane;3-fluoro-6-(2-fluorophenyl)piperidin-2-one (PubChem CID 145079036) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is ethane;3-fluoro-6-(2-fluorophenyl)piperidin-2-one.

Molecular Properties

Compound Nameethane;3-fluoro-6-(2-fluorophenyl)piperidin-2-one
PubChem CID145079036
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Nameethane;3-fluoro-6-(2-fluorophenyl)piperidin-2-one
SMILESCC.O=C1NC(c2ccccc2F)CCC1F
InChIInChI=1S/C11H11F2NO.C2H6/c12-8-4-2-1-3-7(8)10-6-5-9(13)11(15)14-10;1-2/h1-4,9-10H,5-6H2,(H,14,15);1-2H3
InChIKeySBAXLGAHXDNPJQ-UHFFFAOYSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-6-(2-fluorophenyl)piperidin-2-one?
The IUPAC name of ethane;3-fluoro-6-(2-fluorophenyl)piperidin-2-one (CID 145079036) is ethane;3-fluoro-6-(2-fluorophenyl)piperidin-2-one.
What is the SMILES notation for ethane;3-fluoro-6-(2-fluorophenyl)piperidin-2-one?
The canonical SMILES for ethane;3-fluoro-6-(2-fluorophenyl)piperidin-2-one is CC.O=C1NC(c2ccccc2F)CCC1F.
What is the InChIKey of ethane;3-fluoro-6-(2-fluorophenyl)piperidin-2-one?
The InChIKey is SBAXLGAHXDNPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO.C2H6/c12-8-4-2-1-3-7(8)10-6-5-9(13)11(15)14-10;1-2/h1-4,9-10H,5-6H2,(H,14,15);1-2H3.
What are the key properties of ethane;3-fluoro-6-(2-fluorophenyl)piperidin-2-one?
ethane;3-fluoro-6-(2-fluorophenyl)piperidin-2-one has a molecular weight of 241.28 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-6-(2-fluorophenyl)piperidin-2-one is sourced from PubChem (CID 145079036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).