[2-[2,6-bis(trifluoromethyl)benzoyl]phenyl]-(2,6-dichlorobenzoyl)-oxophosphanium

C22H10Cl2F6O3P+ — CID 173244721

IUPAC[2-[2,6-bis(trifluoromethyl)benzoyl]phenyl]-(2,6-dichlorobenzoyl)-oxophosphanium
SMILESO=C(c1ccccc1[P+](=O)C(=O)c1c(Cl)cccc1Cl)c1c(C(F)(F)F)cccc1C(F)(F)F
InChIInChI=1S/C22H10Cl2F6O3P/c23-14-8-4-9-15(24)18(14)20(32)34(33)16-10-2-1-5-11(16)19(31)17-12(21(25,26)27)6-3-7-13(17)22(28,29)30/h1-10H/q+1
InChIKeyJJWMZWFFNOCGEY-UHFFFAOYSA-N
MW538.19 g/mol
LogP7.56
Rot. Bonds5

About [2-[2,6-bis(trifluoromethyl)benzoyl]phenyl]-(2,6-dichlorobenzoyl)-oxophosphanium

[2-[2,6-bis(trifluoromethyl)benzoyl]phenyl]-(2,6-dichlorobenzoyl)-oxophosphanium (PubChem CID 173244721) has the molecular formula C22H10Cl2F6O3P+ and a molecular weight of 538.19 g/mol. Its IUPAC name is [2-[2,6-bis(trifluoromethyl)benzoyl]phenyl]-(2,6-dichlorobenzoyl)-oxophosphanium.

Molecular Properties

Compound Name[2-[2,6-bis(trifluoromethyl)benzoyl]phenyl]-(2,6-dichlorobenzoyl)-oxophosphanium
PubChem CID173244721
Molecular FormulaC22H10Cl2F6O3P+
Molecular Weight538.19 g/mol
Exact Mass536.96
IUPAC Name[2-[2,6-bis(trifluoromethyl)benzoyl]phenyl]-(2,6-dichlorobenzoyl)-oxophosphanium
SMILESO=C(c1ccccc1[P+](=O)C(=O)c1c(Cl)cccc1Cl)c1c(C(F)(F)F)cccc1C(F)(F)F
InChIInChI=1S/C22H10Cl2F6O3P/c23-14-8-4-9-15(24)18(14)20(32)34(33)16-10-2-1-5-11(16)19(31)17-12(21(25,26)27)6-3-7-13(17)22(28,29)30/h1-10H/q+1
InChIKeyJJWMZWFFNOCGEY-UHFFFAOYSA-N
XLogP7.56
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.19
LogP ≤ 57.56
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-[2,6-bis(trifluoromethyl)benzoyl]phenyl]-(2,6-dichlorobenzoyl)-oxophosphanium?
The IUPAC name of [2-[2,6-bis(trifluoromethyl)benzoyl]phenyl]-(2,6-dichlorobenzoyl)-oxophosphanium (CID 173244721) is [2-[2,6-bis(trifluoromethyl)benzoyl]phenyl]-(2,6-dichlorobenzoyl)-oxophosphanium.
What is the SMILES notation for [2-[2,6-bis(trifluoromethyl)benzoyl]phenyl]-(2,6-dichlorobenzoyl)-oxophosphanium?
The canonical SMILES for [2-[2,6-bis(trifluoromethyl)benzoyl]phenyl]-(2,6-dichlorobenzoyl)-oxophosphanium is O=C(c1ccccc1[P+](=O)C(=O)c1c(Cl)cccc1Cl)c1c(C(F)(F)F)cccc1C(F)(F)F.
What is the InChIKey of [2-[2,6-bis(trifluoromethyl)benzoyl]phenyl]-(2,6-dichlorobenzoyl)-oxophosphanium?
The InChIKey is JJWMZWFFNOCGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10Cl2F6O3P/c23-14-8-4-9-15(24)18(14)20(32)34(33)16-10-2-1-5-11(16)19(31)17-12(21(25,26)27)6-3-7-13(17)22(28,29)30/h1-10H/q+1.
What are the key properties of [2-[2,6-bis(trifluoromethyl)benzoyl]phenyl]-(2,6-dichlorobenzoyl)-oxophosphanium?
[2-[2,6-bis(trifluoromethyl)benzoyl]phenyl]-(2,6-dichlorobenzoyl)-oxophosphanium has a molecular weight of 538.19 g/mol, XLogP of 7.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,6-bis(trifluoromethyl)benzoyl]phenyl]-(2,6-dichlorobenzoyl)-oxophosphanium is sourced from PubChem (CID 173244721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).