6-bis[4-(trifluoromethyl)phenyl]phosphanyl-1H-pyridin-2-one

C19H12F6NOP — CID 102494598

IUPAC6-bis[4-(trifluoromethyl)phenyl]phosphanyl-1H-pyridin-2-one
SMILESO=c1cccc(P(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C19H12F6NOP/c20-18(21,22)12-4-8-14(9-5-12)28(17-3-1-2-16(27)26-17)15-10-6-13(7-11-15)19(23,24)25/h1-11H,(H,26,27)
InChIKeyBKLZQBBWYSYKRD-UHFFFAOYSA-N
MW415.27 g/mol
LogP4.17
Rot. Bonds3

About 6-bis[4-(trifluoromethyl)phenyl]phosphanyl-1H-pyridin-2-one

6-bis[4-(trifluoromethyl)phenyl]phosphanyl-1H-pyridin-2-one (PubChem CID 102494598) has the molecular formula C19H12F6NOP and a molecular weight of 415.27 g/mol. Its IUPAC name is 6-bis[4-(trifluoromethyl)phenyl]phosphanyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-bis[4-(trifluoromethyl)phenyl]phosphanyl-1H-pyridin-2-one
PubChem CID102494598
Molecular FormulaC19H12F6NOP
Molecular Weight415.27 g/mol
Exact Mass415.06
IUPAC Name6-bis[4-(trifluoromethyl)phenyl]phosphanyl-1H-pyridin-2-one
SMILESO=c1cccc(P(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C19H12F6NOP/c20-18(21,22)12-4-8-14(9-5-12)28(17-3-1-2-16(27)26-17)15-10-6-13(7-11-15)19(23,24)25/h1-11H,(H,26,27)
InChIKeyBKLZQBBWYSYKRD-UHFFFAOYSA-N
XLogP4.17
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.27
LogP ≤ 54.17
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-(trifluoromethyl)phenyl]phosphanyl-1H-pyridin-2-one?
The IUPAC name of 6-bis[4-(trifluoromethyl)phenyl]phosphanyl-1H-pyridin-2-one (CID 102494598) is 6-bis[4-(trifluoromethyl)phenyl]phosphanyl-1H-pyridin-2-one.
What is the SMILES notation for 6-bis[4-(trifluoromethyl)phenyl]phosphanyl-1H-pyridin-2-one?
The canonical SMILES for 6-bis[4-(trifluoromethyl)phenyl]phosphanyl-1H-pyridin-2-one is O=c1cccc(P(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)[nH]1.
What is the InChIKey of 6-bis[4-(trifluoromethyl)phenyl]phosphanyl-1H-pyridin-2-one?
The InChIKey is BKLZQBBWYSYKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F6NOP/c20-18(21,22)12-4-8-14(9-5-12)28(17-3-1-2-16(27)26-17)15-10-6-13(7-11-15)19(23,24)25/h1-11H,(H,26,27).
What are the key properties of 6-bis[4-(trifluoromethyl)phenyl]phosphanyl-1H-pyridin-2-one?
6-bis[4-(trifluoromethyl)phenyl]phosphanyl-1H-pyridin-2-one has a molecular weight of 415.27 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bis[4-(trifluoromethyl)phenyl]phosphanyl-1H-pyridin-2-one is sourced from PubChem (CID 102494598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).