[[2,6-bis(trifluoromethyl)benzoyl]-phenylphosphoryl]-(2,6-dimethylphenyl)methanone

C24H17F6O3P — CID 18514794

IUPAC[[2,6-bis(trifluoromethyl)benzoyl]-phenylphosphoryl]-(2,6-dimethylphenyl)methanone
SMILESCc1cccc(C)c1C(=O)P(=O)(C(=O)c1c(C(F)(F)F)cccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C24H17F6O3P/c1-14-8-6-9-15(2)19(14)21(31)34(33,16-10-4-3-5-11-16)22(32)20-17(23(25,26)27)12-7-13-18(20)24(28,29)30/h3-13H,1-2H3
InChIKeyBQZFLZJKWJMWLC-UHFFFAOYSA-N
MW498.36 g/mol
LogP7.01
Rot. Bonds5

About [[2,6-bis(trifluoromethyl)benzoyl]-phenylphosphoryl]-(2,6-dimethylphenyl)methanone

[[2,6-bis(trifluoromethyl)benzoyl]-phenylphosphoryl]-(2,6-dimethylphenyl)methanone (PubChem CID 18514794) has the molecular formula C24H17F6O3P and a molecular weight of 498.36 g/mol. Its IUPAC name is [[2,6-bis(trifluoromethyl)benzoyl]-phenylphosphoryl]-(2,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name[[2,6-bis(trifluoromethyl)benzoyl]-phenylphosphoryl]-(2,6-dimethylphenyl)methanone
PubChem CID18514794
Molecular FormulaC24H17F6O3P
Molecular Weight498.36 g/mol
Exact Mass498.08
IUPAC Name[[2,6-bis(trifluoromethyl)benzoyl]-phenylphosphoryl]-(2,6-dimethylphenyl)methanone
SMILESCc1cccc(C)c1C(=O)P(=O)(C(=O)c1c(C(F)(F)F)cccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C24H17F6O3P/c1-14-8-6-9-15(2)19(14)21(31)34(33,16-10-4-3-5-11-16)22(32)20-17(23(25,26)27)12-7-13-18(20)24(28,29)30/h3-13H,1-2H3
InChIKeyBQZFLZJKWJMWLC-UHFFFAOYSA-N
XLogP7.01
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.36
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[2,6-bis(trifluoromethyl)benzoyl]-phenylphosphoryl]-(2,6-dimethylphenyl)methanone?
The IUPAC name of [[2,6-bis(trifluoromethyl)benzoyl]-phenylphosphoryl]-(2,6-dimethylphenyl)methanone (CID 18514794) is [[2,6-bis(trifluoromethyl)benzoyl]-phenylphosphoryl]-(2,6-dimethylphenyl)methanone.
What is the SMILES notation for [[2,6-bis(trifluoromethyl)benzoyl]-phenylphosphoryl]-(2,6-dimethylphenyl)methanone?
The canonical SMILES for [[2,6-bis(trifluoromethyl)benzoyl]-phenylphosphoryl]-(2,6-dimethylphenyl)methanone is Cc1cccc(C)c1C(=O)P(=O)(C(=O)c1c(C(F)(F)F)cccc1C(F)(F)F)c1ccccc1.
What is the InChIKey of [[2,6-bis(trifluoromethyl)benzoyl]-phenylphosphoryl]-(2,6-dimethylphenyl)methanone?
The InChIKey is BQZFLZJKWJMWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F6O3P/c1-14-8-6-9-15(2)19(14)21(31)34(33,16-10-4-3-5-11-16)22(32)20-17(23(25,26)27)12-7-13-18(20)24(28,29)30/h3-13H,1-2H3.
What are the key properties of [[2,6-bis(trifluoromethyl)benzoyl]-phenylphosphoryl]-(2,6-dimethylphenyl)methanone?
[[2,6-bis(trifluoromethyl)benzoyl]-phenylphosphoryl]-(2,6-dimethylphenyl)methanone has a molecular weight of 498.36 g/mol, XLogP of 7.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[2,6-bis(trifluoromethyl)benzoyl]-phenylphosphoryl]-(2,6-dimethylphenyl)methanone is sourced from PubChem (CID 18514794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).