3-(difluoromethyl)-5,6-diethyl-1H-pyridin-2-one

C10H13F2NO — CID 123654562

IUPAC3-(difluoromethyl)-5,6-diethyl-1H-pyridin-2-one
SMILESCCc1cc(C(F)F)c(=O)[nH]c1CC
InChIInChI=1S/C10H13F2NO/c1-3-6-5-7(9(11)12)10(14)13-8(6)4-2/h5,9H,3-4H2,1-2H3,(H,13,14)
InChIKeyMSPYFKNWZJHDQD-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.44
Rot. Bonds3

About 3-(difluoromethyl)-5,6-diethyl-1H-pyridin-2-one

3-(difluoromethyl)-5,6-diethyl-1H-pyridin-2-one (PubChem CID 123654562) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-(difluoromethyl)-5,6-diethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(difluoromethyl)-5,6-diethyl-1H-pyridin-2-one
PubChem CID123654562
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name3-(difluoromethyl)-5,6-diethyl-1H-pyridin-2-one
SMILESCCc1cc(C(F)F)c(=O)[nH]c1CC
InChIInChI=1S/C10H13F2NO/c1-3-6-5-7(9(11)12)10(14)13-8(6)4-2/h5,9H,3-4H2,1-2H3,(H,13,14)
InChIKeyMSPYFKNWZJHDQD-UHFFFAOYSA-N
XLogP2.44
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5,6-diethyl-1H-pyridin-2-one?
The IUPAC name of 3-(difluoromethyl)-5,6-diethyl-1H-pyridin-2-one (CID 123654562) is 3-(difluoromethyl)-5,6-diethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(difluoromethyl)-5,6-diethyl-1H-pyridin-2-one?
The canonical SMILES for 3-(difluoromethyl)-5,6-diethyl-1H-pyridin-2-one is CCc1cc(C(F)F)c(=O)[nH]c1CC.
What is the InChIKey of 3-(difluoromethyl)-5,6-diethyl-1H-pyridin-2-one?
The InChIKey is MSPYFKNWZJHDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-3-6-5-7(9(11)12)10(14)13-8(6)4-2/h5,9H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 3-(difluoromethyl)-5,6-diethyl-1H-pyridin-2-one?
3-(difluoromethyl)-5,6-diethyl-1H-pyridin-2-one has a molecular weight of 201.22 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5,6-diethyl-1H-pyridin-2-one is sourced from PubChem (CID 123654562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).