1-[1,2-bis(4-fluorophenyl)-2-hydroxyethyl]-6-fluoropyridin-2-one

C19H14F3NO2 — CID 67445855

IUPAC1-[1,2-bis(4-fluorophenyl)-2-hydroxyethyl]-6-fluoropyridin-2-one
SMILESO=c1cccc(F)n1C(c1ccc(F)cc1)C(O)c1ccc(F)cc1
InChIInChI=1S/C19H14F3NO2/c20-14-8-4-12(5-9-14)18(23-16(22)2-1-3-17(23)24)19(25)13-6-10-15(21)11-7-13/h1-11,18-19,25H
InChIKeyOFQUDQWLZXNDIU-UHFFFAOYSA-N
MW345.32 g/mol
LogP3.59
Rot. Bonds4

About 1-[1,2-bis(4-fluorophenyl)-2-hydroxyethyl]-6-fluoropyridin-2-one

1-[1,2-bis(4-fluorophenyl)-2-hydroxyethyl]-6-fluoropyridin-2-one (PubChem CID 67445855) has the molecular formula C19H14F3NO2 and a molecular weight of 345.32 g/mol. Its IUPAC name is 1-[1,2-bis(4-fluorophenyl)-2-hydroxyethyl]-6-fluoropyridin-2-one.

Molecular Properties

Compound Name1-[1,2-bis(4-fluorophenyl)-2-hydroxyethyl]-6-fluoropyridin-2-one
PubChem CID67445855
Molecular FormulaC19H14F3NO2
Molecular Weight345.32 g/mol
Exact Mass345.10
IUPAC Name1-[1,2-bis(4-fluorophenyl)-2-hydroxyethyl]-6-fluoropyridin-2-one
SMILESO=c1cccc(F)n1C(c1ccc(F)cc1)C(O)c1ccc(F)cc1
InChIInChI=1S/C19H14F3NO2/c20-14-8-4-12(5-9-14)18(23-16(22)2-1-3-17(23)24)19(25)13-6-10-15(21)11-7-13/h1-11,18-19,25H
InChIKeyOFQUDQWLZXNDIU-UHFFFAOYSA-N
XLogP3.59
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1,2-bis(4-fluorophenyl)-2-hydroxyethyl]-6-fluoropyridin-2-one?
The IUPAC name of 1-[1,2-bis(4-fluorophenyl)-2-hydroxyethyl]-6-fluoropyridin-2-one (CID 67445855) is 1-[1,2-bis(4-fluorophenyl)-2-hydroxyethyl]-6-fluoropyridin-2-one.
What is the SMILES notation for 1-[1,2-bis(4-fluorophenyl)-2-hydroxyethyl]-6-fluoropyridin-2-one?
The canonical SMILES for 1-[1,2-bis(4-fluorophenyl)-2-hydroxyethyl]-6-fluoropyridin-2-one is O=c1cccc(F)n1C(c1ccc(F)cc1)C(O)c1ccc(F)cc1.
What is the InChIKey of 1-[1,2-bis(4-fluorophenyl)-2-hydroxyethyl]-6-fluoropyridin-2-one?
The InChIKey is OFQUDQWLZXNDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO2/c20-14-8-4-12(5-9-14)18(23-16(22)2-1-3-17(23)24)19(25)13-6-10-15(21)11-7-13/h1-11,18-19,25H.
What are the key properties of 1-[1,2-bis(4-fluorophenyl)-2-hydroxyethyl]-6-fluoropyridin-2-one?
1-[1,2-bis(4-fluorophenyl)-2-hydroxyethyl]-6-fluoropyridin-2-one has a molecular weight of 345.32 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2-bis(4-fluorophenyl)-2-hydroxyethyl]-6-fluoropyridin-2-one is sourced from PubChem (CID 67445855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).