1-(trifluoromethyl)-2,3-dihydropyridin-6-one

C6H6F3NO — CID 140766267

IUPAC1-(trifluoromethyl)-2,3-dihydropyridin-6-one
SMILESO=C1C=CCCN1C(F)(F)F
InChIInChI=1S/C6H6F3NO/c7-6(8,9)10-4-2-1-3-5(10)11/h1,3H,2,4H2
InChIKeyXNVPUGWFJCHIHA-UHFFFAOYSA-N
MW165.11 g/mol
LogP1.29
Rot. Bonds

About 1-(trifluoromethyl)-2,3-dihydropyridin-6-one

1-(trifluoromethyl)-2,3-dihydropyridin-6-one (PubChem CID 140766267) has the molecular formula C6H6F3NO and a molecular weight of 165.11 g/mol. Its IUPAC name is 1-(trifluoromethyl)-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-(trifluoromethyl)-2,3-dihydropyridin-6-one
PubChem CID140766267
Molecular FormulaC6H6F3NO
Molecular Weight165.11 g/mol
Exact Mass165.04
IUPAC Name1-(trifluoromethyl)-2,3-dihydropyridin-6-one
SMILESO=C1C=CCCN1C(F)(F)F
InChIInChI=1S/C6H6F3NO/c7-6(8,9)10-4-2-1-3-5(10)11/h1,3H,2,4H2
InChIKeyXNVPUGWFJCHIHA-UHFFFAOYSA-N
XLogP1.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.11
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-2,3-dihydropyridin-6-one?
The IUPAC name of 1-(trifluoromethyl)-2,3-dihydropyridin-6-one (CID 140766267) is 1-(trifluoromethyl)-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-(trifluoromethyl)-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-(trifluoromethyl)-2,3-dihydropyridin-6-one is O=C1C=CCCN1C(F)(F)F.
What is the InChIKey of 1-(trifluoromethyl)-2,3-dihydropyridin-6-one?
The InChIKey is XNVPUGWFJCHIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO/c7-6(8,9)10-4-2-1-3-5(10)11/h1,3H,2,4H2.
What are the key properties of 1-(trifluoromethyl)-2,3-dihydropyridin-6-one?
1-(trifluoromethyl)-2,3-dihydropyridin-6-one has a molecular weight of 165.11 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-2,3-dihydropyridin-6-one is sourced from PubChem (CID 140766267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).