3,5-difluoro-6-(4-oxocyclohexyl)-1H-pyridin-2-one

C11H11F2NO2 — CID 163370327

IUPAC3,5-difluoro-6-(4-oxocyclohexyl)-1H-pyridin-2-one
SMILESO=C1CCC(c2[nH]c(=O)c(F)cc2F)CC1
InChIInChI=1S/C11H11F2NO2/c12-8-5-9(13)11(16)14-10(8)6-1-3-7(15)4-2-6/h5-6H,1-4H2,(H,14,16)
InChIKeyCZEFRWNYJYRFHX-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.88
Rot. Bonds1

About 3,5-difluoro-6-(4-oxocyclohexyl)-1H-pyridin-2-one

3,5-difluoro-6-(4-oxocyclohexyl)-1H-pyridin-2-one (PubChem CID 163370327) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is 3,5-difluoro-6-(4-oxocyclohexyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3,5-difluoro-6-(4-oxocyclohexyl)-1H-pyridin-2-one
PubChem CID163370327
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name3,5-difluoro-6-(4-oxocyclohexyl)-1H-pyridin-2-one
SMILESO=C1CCC(c2[nH]c(=O)c(F)cc2F)CC1
InChIInChI=1S/C11H11F2NO2/c12-8-5-9(13)11(16)14-10(8)6-1-3-7(15)4-2-6/h5-6H,1-4H2,(H,14,16)
InChIKeyCZEFRWNYJYRFHX-UHFFFAOYSA-N
XLogP1.88
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 163370291
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CID 163370298
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CID 163370340
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CID 163370379
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CID 163370391
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CID 97036572
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CID 97036573
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CID 99986293
CID 99986293

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-6-(4-oxocyclohexyl)-1H-pyridin-2-one?
The IUPAC name of 3,5-difluoro-6-(4-oxocyclohexyl)-1H-pyridin-2-one (CID 163370327) is 3,5-difluoro-6-(4-oxocyclohexyl)-1H-pyridin-2-one.
What is the SMILES notation for 3,5-difluoro-6-(4-oxocyclohexyl)-1H-pyridin-2-one?
The canonical SMILES for 3,5-difluoro-6-(4-oxocyclohexyl)-1H-pyridin-2-one is O=C1CCC(c2[nH]c(=O)c(F)cc2F)CC1.
What is the InChIKey of 3,5-difluoro-6-(4-oxocyclohexyl)-1H-pyridin-2-one?
The InChIKey is CZEFRWNYJYRFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c12-8-5-9(13)11(16)14-10(8)6-1-3-7(15)4-2-6/h5-6H,1-4H2,(H,14,16).
What are the key properties of 3,5-difluoro-6-(4-oxocyclohexyl)-1H-pyridin-2-one?
3,5-difluoro-6-(4-oxocyclohexyl)-1H-pyridin-2-one has a molecular weight of 227.21 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-6-(4-oxocyclohexyl)-1H-pyridin-2-one is sourced from PubChem (CID 163370327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).