2-[2-[benzoyl(trifluoromethyl)phosphoryl]phenyl]-1-(2-chlorophenyl)ethanone

C22H15ClF3O3P — CID 174394659

IUPAC2-[2-[benzoyl(trifluoromethyl)phosphoryl]phenyl]-1-(2-chlorophenyl)ethanone
SMILESO=C(Cc1ccccc1P(=O)(C(=O)c1ccccc1)C(F)(F)F)c1ccccc1Cl
InChIInChI=1S/C22H15ClF3O3P/c23-18-12-6-5-11-17(18)19(27)14-16-10-4-7-13-20(16)30(29,22(24,25)26)21(28)15-8-2-1-3-9-15/h1-13H,14H2
InChIKeySKUGCJCAVVDXJL-UHFFFAOYSA-N
MW450.78 g/mol
LogP6.11
Rot. Bonds6

About 2-[2-[benzoyl(trifluoromethyl)phosphoryl]phenyl]-1-(2-chlorophenyl)ethanone

2-[2-[benzoyl(trifluoromethyl)phosphoryl]phenyl]-1-(2-chlorophenyl)ethanone (PubChem CID 174394659) has the molecular formula C22H15ClF3O3P and a molecular weight of 450.78 g/mol. Its IUPAC name is 2-[2-[benzoyl(trifluoromethyl)phosphoryl]phenyl]-1-(2-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-[2-[benzoyl(trifluoromethyl)phosphoryl]phenyl]-1-(2-chlorophenyl)ethanone
PubChem CID174394659
Molecular FormulaC22H15ClF3O3P
Molecular Weight450.78 g/mol
Exact Mass450.04
IUPAC Name2-[2-[benzoyl(trifluoromethyl)phosphoryl]phenyl]-1-(2-chlorophenyl)ethanone
SMILESO=C(Cc1ccccc1P(=O)(C(=O)c1ccccc1)C(F)(F)F)c1ccccc1Cl
InChIInChI=1S/C22H15ClF3O3P/c23-18-12-6-5-11-17(18)19(27)14-16-10-4-7-13-20(16)30(29,22(24,25)26)21(28)15-8-2-1-3-9-15/h1-13H,14H2
InChIKeySKUGCJCAVVDXJL-UHFFFAOYSA-N
XLogP6.11
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.78
LogP ≤ 56.11
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-[2-[benzoyl(trifluoromethyl)phosphoryl]phenyl]-1-(2-chlorophenyl)ethanone?
The IUPAC name of 2-[2-[benzoyl(trifluoromethyl)phosphoryl]phenyl]-1-(2-chlorophenyl)ethanone (CID 174394659) is 2-[2-[benzoyl(trifluoromethyl)phosphoryl]phenyl]-1-(2-chlorophenyl)ethanone.
What is the SMILES notation for 2-[2-[benzoyl(trifluoromethyl)phosphoryl]phenyl]-1-(2-chlorophenyl)ethanone?
The canonical SMILES for 2-[2-[benzoyl(trifluoromethyl)phosphoryl]phenyl]-1-(2-chlorophenyl)ethanone is O=C(Cc1ccccc1P(=O)(C(=O)c1ccccc1)C(F)(F)F)c1ccccc1Cl.
What is the InChIKey of 2-[2-[benzoyl(trifluoromethyl)phosphoryl]phenyl]-1-(2-chlorophenyl)ethanone?
The InChIKey is SKUGCJCAVVDXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3O3P/c23-18-12-6-5-11-17(18)19(27)14-16-10-4-7-13-20(16)30(29,22(24,25)26)21(28)15-8-2-1-3-9-15/h1-13H,14H2.
What are the key properties of 2-[2-[benzoyl(trifluoromethyl)phosphoryl]phenyl]-1-(2-chlorophenyl)ethanone?
2-[2-[benzoyl(trifluoromethyl)phosphoryl]phenyl]-1-(2-chlorophenyl)ethanone has a molecular weight of 450.78 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[benzoyl(trifluoromethyl)phosphoryl]phenyl]-1-(2-chlorophenyl)ethanone is sourced from PubChem (CID 174394659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).