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

C23H14ClF6O3P — CID 18513882

IUPAC[[2,6-bis(trifluoromethyl)benzoyl]-phenylphosphoryl]-(2-chloro-6-methylphenyl)methanone
SMILESCc1cccc(Cl)c1C(=O)P(=O)(C(=O)c1c(C(F)(F)F)cccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C23H14ClF6O3P/c1-13-7-5-12-17(24)18(13)20(31)34(33,14-8-3-2-4-9-14)21(32)19-15(22(25,26)27)10-6-11-16(19)23(28,29)30/h2-12H,1H3
InChIKeyUYZPATHZMUXXQJ-UHFFFAOYSA-N
MW518.78 g/mol
LogP7.36
Rot. Bonds5

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

[[2,6-bis(trifluoromethyl)benzoyl]-phenylphosphoryl]-(2-chloro-6-methylphenyl)methanone (PubChem CID 18513882) has the molecular formula C23H14ClF6O3P and a molecular weight of 518.78 g/mol. Its IUPAC name is [[2,6-bis(trifluoromethyl)benzoyl]-phenylphosphoryl]-(2-chloro-6-methylphenyl)methanone.

Molecular Properties

Compound Name[[2,6-bis(trifluoromethyl)benzoyl]-phenylphosphoryl]-(2-chloro-6-methylphenyl)methanone
PubChem CID18513882
Molecular FormulaC23H14ClF6O3P
Molecular Weight518.78 g/mol
Exact Mass518.03
IUPAC Name[[2,6-bis(trifluoromethyl)benzoyl]-phenylphosphoryl]-(2-chloro-6-methylphenyl)methanone
SMILESCc1cccc(Cl)c1C(=O)P(=O)(C(=O)c1c(C(F)(F)F)cccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C23H14ClF6O3P/c1-13-7-5-12-17(24)18(13)20(31)34(33,14-8-3-2-4-9-14)21(32)19-15(22(25,26)27)10-6-11-16(19)23(28,29)30/h2-12H,1H3
InChIKeyUYZPATHZMUXXQJ-UHFFFAOYSA-N
XLogP7.36
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.78
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-Chlorophenyl)-[2-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 145989563
[2,6-Bis(trifluoromethyl)phenyl]-[phenyl-(2,4,6-trichlorobenzoyl)phosphoryl]methanone
CID 18513747
[[2,6-Bis(trifluoromethyl)benzoyl]-phenylphosphoryl]-(2,6-diethylphenyl)methanone
CID 18513915
[2,6-Bis(trifluoromethyl)phenyl]-[(2,6-dichlorobenzoyl)-phenylphosphoryl]methanone
CID 18514010
[2,6-Bis(trifluoromethyl)phenyl]-[phenyl-(2,3,6-trichlorobenzoyl)phosphoryl]methanone
CID 18514074
[Benzyl(phenyl)phosphoryl]-[2,6-bis(trifluoromethyl)phenyl]methanone
CID 18514169
[2,6-Bis(trifluoromethyl)phenyl]-[phenyl-(2,3,5,6-tetrachlorobenzoyl)phosphoryl]methanone
CID 18514241
[2,6-Bis(trifluoromethyl)phenyl]-[(2,3,4,5,6-pentachlorobenzoyl)-phenylphosphoryl]methanone
CID 18514428
[[2,6-Bis(trifluoromethyl)benzoyl]-phenylphosphoryl]-(2,6-dimethylphenyl)methanone
CID 18514794
7,7-Bis[3-chloro-4-methyl-5-(2,2,2-trifluoroacetyl)phenyl]-1,1,1-trifluorohept-6-en-2-one
CID 20590779
8,8-Bis[3-chloro-5-(2,2-difluoropropanoyl)-4-methylphenyl]-2,2-difluorooct-7-en-3-one
CID 20590791
1-(4-Trifluoromethylbenzoyl)-2-chloro-4,6-dimethylbenzene
CID 23320953

Frequently Asked Questions

What is the IUPAC name of [[2,6-bis(trifluoromethyl)benzoyl]-phenylphosphoryl]-(2-chloro-6-methylphenyl)methanone?
The IUPAC name of [[2,6-bis(trifluoromethyl)benzoyl]-phenylphosphoryl]-(2-chloro-6-methylphenyl)methanone (CID 18513882) is [[2,6-bis(trifluoromethyl)benzoyl]-phenylphosphoryl]-(2-chloro-6-methylphenyl)methanone.
What is the SMILES notation for [[2,6-bis(trifluoromethyl)benzoyl]-phenylphosphoryl]-(2-chloro-6-methylphenyl)methanone?
The canonical SMILES for [[2,6-bis(trifluoromethyl)benzoyl]-phenylphosphoryl]-(2-chloro-6-methylphenyl)methanone is Cc1cccc(Cl)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-chloro-6-methylphenyl)methanone?
The InChIKey is UYZPATHZMUXXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF6O3P/c1-13-7-5-12-17(24)18(13)20(31)34(33,14-8-3-2-4-9-14)21(32)19-15(22(25,26)27)10-6-11-16(19)23(28,29)30/h2-12H,1H3.
What are the key properties of [[2,6-bis(trifluoromethyl)benzoyl]-phenylphosphoryl]-(2-chloro-6-methylphenyl)methanone?
[[2,6-bis(trifluoromethyl)benzoyl]-phenylphosphoryl]-(2-chloro-6-methylphenyl)methanone has a molecular weight of 518.78 g/mol, XLogP of 7.36, 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-chloro-6-methylphenyl)methanone is sourced from PubChem (CID 18513882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).