2-(difluoromethyl)-1-(1-phenylethyl)-2,3-dihydropyridin-4-one

C14H15F2NO — CID 73110840

IUPAC2-(difluoromethyl)-1-(1-phenylethyl)-2,3-dihydropyridin-4-one
SMILESCC(c1ccccc1)N1C=CC(=O)CC1C(F)F
InChIInChI=1S/C14H15F2NO/c1-10(11-5-3-2-4-6-11)17-8-7-12(18)9-13(17)14(15)16/h2-8,10,13-14H,9H2,1H3
InChIKeyFRPBQTFQWOFMEI-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.17
Rot. Bonds3

About 2-(difluoromethyl)-1-(1-phenylethyl)-2,3-dihydropyridin-4-one

2-(difluoromethyl)-1-(1-phenylethyl)-2,3-dihydropyridin-4-one (PubChem CID 73110840) has the molecular formula C14H15F2NO and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-(1-phenylethyl)-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-1-(1-phenylethyl)-2,3-dihydropyridin-4-one
PubChem CID73110840
Molecular FormulaC14H15F2NO
Molecular Weight251.28 g/mol
Exact Mass251.11
IUPAC Name2-(difluoromethyl)-1-(1-phenylethyl)-2,3-dihydropyridin-4-one
SMILESCC(c1ccccc1)N1C=CC(=O)CC1C(F)F
InChIInChI=1S/C14H15F2NO/c1-10(11-5-3-2-4-6-11)17-8-7-12(18)9-13(17)14(15)16/h2-8,10,13-14H,9H2,1H3
InChIKeyFRPBQTFQWOFMEI-UHFFFAOYSA-N
XLogP3.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-(1-phenylethyl)-2,3-dihydropyridin-4-one?
The IUPAC name of 2-(difluoromethyl)-1-(1-phenylethyl)-2,3-dihydropyridin-4-one (CID 73110840) is 2-(difluoromethyl)-1-(1-phenylethyl)-2,3-dihydropyridin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-1-(1-phenylethyl)-2,3-dihydropyridin-4-one?
The canonical SMILES for 2-(difluoromethyl)-1-(1-phenylethyl)-2,3-dihydropyridin-4-one is CC(c1ccccc1)N1C=CC(=O)CC1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-1-(1-phenylethyl)-2,3-dihydropyridin-4-one?
The InChIKey is FRPBQTFQWOFMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO/c1-10(11-5-3-2-4-6-11)17-8-7-12(18)9-13(17)14(15)16/h2-8,10,13-14H,9H2,1H3.
What are the key properties of 2-(difluoromethyl)-1-(1-phenylethyl)-2,3-dihydropyridin-4-one?
2-(difluoromethyl)-1-(1-phenylethyl)-2,3-dihydropyridin-4-one has a molecular weight of 251.28 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-(1-phenylethyl)-2,3-dihydropyridin-4-one is sourced from PubChem (CID 73110840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).