5-bis[4-(trifluoromethyl)phenyl]phosphoryl-1-phenylpentan-1-one

C25H21F6O2P — CID 171475341

IUPAC5-bis[4-(trifluoromethyl)phenyl]phosphoryl-1-phenylpentan-1-one
SMILESO=C(CCCCP(=O)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C25H21F6O2P/c26-24(27,28)19-9-13-21(14-10-19)34(33,22-15-11-20(12-16-22)25(29,30)31)17-5-4-8-23(32)18-6-2-1-3-7-18/h1-3,6-7,9-16H,4-5,8,17H2
InChIKeyWSWLYVQUPRUBAT-UHFFFAOYSA-N
MW498.40 g/mol
LogP7.09
Rot. Bonds8

About 5-bis[4-(trifluoromethyl)phenyl]phosphoryl-1-phenylpentan-1-one

5-bis[4-(trifluoromethyl)phenyl]phosphoryl-1-phenylpentan-1-one (PubChem CID 171475341) has the molecular formula C25H21F6O2P and a molecular weight of 498.40 g/mol. Its IUPAC name is 5-bis[4-(trifluoromethyl)phenyl]phosphoryl-1-phenylpentan-1-one.

Molecular Properties

Compound Name5-bis[4-(trifluoromethyl)phenyl]phosphoryl-1-phenylpentan-1-one
PubChem CID171475341
Molecular FormulaC25H21F6O2P
Molecular Weight498.40 g/mol
Exact Mass498.12
IUPAC Name5-bis[4-(trifluoromethyl)phenyl]phosphoryl-1-phenylpentan-1-one
SMILESO=C(CCCCP(=O)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C25H21F6O2P/c26-24(27,28)19-9-13-21(14-10-19)34(33,22-15-11-20(12-16-22)25(29,30)31)17-5-4-8-23(32)18-6-2-1-3-7-18/h1-3,6-7,9-16H,4-5,8,17H2
InChIKeyWSWLYVQUPRUBAT-UHFFFAOYSA-N
XLogP7.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.40
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-[4-(trifluoromethyl)phenyl]heptan-1-one
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1-phenyl-2-[4-(trifluoromethyl)phenoxy]ethanone
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Frequently Asked Questions

What is the IUPAC name of 5-bis[4-(trifluoromethyl)phenyl]phosphoryl-1-phenylpentan-1-one?
The IUPAC name of 5-bis[4-(trifluoromethyl)phenyl]phosphoryl-1-phenylpentan-1-one (CID 171475341) is 5-bis[4-(trifluoromethyl)phenyl]phosphoryl-1-phenylpentan-1-one.
What is the SMILES notation for 5-bis[4-(trifluoromethyl)phenyl]phosphoryl-1-phenylpentan-1-one?
The canonical SMILES for 5-bis[4-(trifluoromethyl)phenyl]phosphoryl-1-phenylpentan-1-one is O=C(CCCCP(=O)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 5-bis[4-(trifluoromethyl)phenyl]phosphoryl-1-phenylpentan-1-one?
The InChIKey is WSWLYVQUPRUBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F6O2P/c26-24(27,28)19-9-13-21(14-10-19)34(33,22-15-11-20(12-16-22)25(29,30)31)17-5-4-8-23(32)18-6-2-1-3-7-18/h1-3,6-7,9-16H,4-5,8,17H2.
What are the key properties of 5-bis[4-(trifluoromethyl)phenyl]phosphoryl-1-phenylpentan-1-one?
5-bis[4-(trifluoromethyl)phenyl]phosphoryl-1-phenylpentan-1-one has a molecular weight of 498.40 g/mol, XLogP of 7.09, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bis[4-(trifluoromethyl)phenyl]phosphoryl-1-phenylpentan-1-one is sourced from PubChem (CID 171475341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).