6-bis(4-fluorophenyl)phosphanyl-1H-pyridin-2-one

C17H12F2NOP — CID 57379376

IUPAC6-bis(4-fluorophenyl)phosphanyl-1H-pyridin-2-one
SMILESO=c1cccc(P(c2ccc(F)cc2)c2ccc(F)cc2)[nH]1
InChIInChI=1S/C17H12F2NOP/c18-12-4-8-14(9-5-12)22(15-10-6-13(19)7-11-15)17-3-1-2-16(21)20-17/h1-11H,(H,20,21)
InChIKeyYFDJEPBCWJXXHZ-UHFFFAOYSA-N
MW315.26 g/mol
LogP2.41
Rot. Bonds3

About 6-bis(4-fluorophenyl)phosphanyl-1H-pyridin-2-one

6-bis(4-fluorophenyl)phosphanyl-1H-pyridin-2-one (PubChem CID 57379376) has the molecular formula C17H12F2NOP and a molecular weight of 315.26 g/mol. Its IUPAC name is 6-bis(4-fluorophenyl)phosphanyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-bis(4-fluorophenyl)phosphanyl-1H-pyridin-2-one
PubChem CID57379376
Molecular FormulaC17H12F2NOP
Molecular Weight315.26 g/mol
Exact Mass315.06
IUPAC Name6-bis(4-fluorophenyl)phosphanyl-1H-pyridin-2-one
SMILESO=c1cccc(P(c2ccc(F)cc2)c2ccc(F)cc2)[nH]1
InChIInChI=1S/C17H12F2NOP/c18-12-4-8-14(9-5-12)22(15-10-6-13(19)7-11-15)17-3-1-2-16(21)20-17/h1-11H,(H,20,21)
InChIKeyYFDJEPBCWJXXHZ-UHFFFAOYSA-N
XLogP2.41
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bis(4-fluorophenyl)phosphanyl-1H-pyridin-2-one?
The IUPAC name of 6-bis(4-fluorophenyl)phosphanyl-1H-pyridin-2-one (CID 57379376) is 6-bis(4-fluorophenyl)phosphanyl-1H-pyridin-2-one.
What is the SMILES notation for 6-bis(4-fluorophenyl)phosphanyl-1H-pyridin-2-one?
The canonical SMILES for 6-bis(4-fluorophenyl)phosphanyl-1H-pyridin-2-one is O=c1cccc(P(c2ccc(F)cc2)c2ccc(F)cc2)[nH]1.
What is the InChIKey of 6-bis(4-fluorophenyl)phosphanyl-1H-pyridin-2-one?
The InChIKey is YFDJEPBCWJXXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2NOP/c18-12-4-8-14(9-5-12)22(15-10-6-13(19)7-11-15)17-3-1-2-16(21)20-17/h1-11H,(H,20,21).
What are the key properties of 6-bis(4-fluorophenyl)phosphanyl-1H-pyridin-2-one?
6-bis(4-fluorophenyl)phosphanyl-1H-pyridin-2-one has a molecular weight of 315.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bis(4-fluorophenyl)phosphanyl-1H-pyridin-2-one is sourced from PubChem (CID 57379376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).