4-(difluoromethyl)-6-(4-oxocyclohexyl)-1H-pyridin-2-one

C12H13F2NO2 — CID 163370340

IUPAC4-(difluoromethyl)-6-(4-oxocyclohexyl)-1H-pyridin-2-one
SMILESO=C1CCC(c2cc(C(F)F)cc(=O)[nH]2)CC1
InChIInChI=1S/C12H13F2NO2/c13-12(14)8-5-10(15-11(17)6-8)7-1-3-9(16)4-2-7/h5-7,12H,1-4H2,(H,15,17)
InChIKeyMKAJYONUPOAUBC-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.54
Rot. Bonds2

About 4-(difluoromethyl)-6-(4-oxocyclohexyl)-1H-pyridin-2-one

4-(difluoromethyl)-6-(4-oxocyclohexyl)-1H-pyridin-2-one (PubChem CID 163370340) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-(4-oxocyclohexyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-6-(4-oxocyclohexyl)-1H-pyridin-2-one
PubChem CID163370340
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name4-(difluoromethyl)-6-(4-oxocyclohexyl)-1H-pyridin-2-one
SMILESO=C1CCC(c2cc(C(F)F)cc(=O)[nH]2)CC1
InChIInChI=1S/C12H13F2NO2/c13-12(14)8-5-10(15-11(17)6-8)7-1-3-9(16)4-2-7/h5-7,12H,1-4H2,(H,15,17)
InChIKeyMKAJYONUPOAUBC-UHFFFAOYSA-N
XLogP2.54
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-(4-oxocyclohexyl)-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-6-(4-oxocyclohexyl)-1H-pyridin-2-one (CID 163370340) is 4-(difluoromethyl)-6-(4-oxocyclohexyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-6-(4-oxocyclohexyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-6-(4-oxocyclohexyl)-1H-pyridin-2-one is O=C1CCC(c2cc(C(F)F)cc(=O)[nH]2)CC1.
What is the InChIKey of 4-(difluoromethyl)-6-(4-oxocyclohexyl)-1H-pyridin-2-one?
The InChIKey is MKAJYONUPOAUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c13-12(14)8-5-10(15-11(17)6-8)7-1-3-9(16)4-2-7/h5-7,12H,1-4H2,(H,15,17).
What are the key properties of 4-(difluoromethyl)-6-(4-oxocyclohexyl)-1H-pyridin-2-one?
4-(difluoromethyl)-6-(4-oxocyclohexyl)-1H-pyridin-2-one has a molecular weight of 241.24 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-(4-oxocyclohexyl)-1H-pyridin-2-one is sourced from PubChem (CID 163370340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).