[2,6-bis(trifluoromethyl)phenyl]-[phenyl-(2,4,6-trichlorobenzoyl)phosphoryl]methanone

C22H10Cl3F6O3P — CID 18513747

IUPAC[2,6-bis(trifluoromethyl)phenyl]-[phenyl-(2,4,6-trichlorobenzoyl)phosphoryl]methanone
SMILESO=C(c1c(Cl)cc(Cl)cc1Cl)P(=O)(C(=O)c1c(C(F)(F)F)cccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C22H10Cl3F6O3P/c23-11-9-15(24)18(16(25)10-11)20(33)35(34,12-5-2-1-3-6-12)19(32)17-13(21(26,27)28)7-4-8-14(17)22(29,30)31/h1-10H
InChIKeyWITFBDHBOFAESD-UHFFFAOYSA-N
MW573.64 g/mol
LogP8.35
Rot. Bonds5

About [2,6-bis(trifluoromethyl)phenyl]-[phenyl-(2,4,6-trichlorobenzoyl)phosphoryl]methanone

[2,6-bis(trifluoromethyl)phenyl]-[phenyl-(2,4,6-trichlorobenzoyl)phosphoryl]methanone (PubChem CID 18513747) has the molecular formula C22H10Cl3F6O3P and a molecular weight of 573.64 g/mol. Its IUPAC name is [2,6-bis(trifluoromethyl)phenyl]-[phenyl-(2,4,6-trichlorobenzoyl)phosphoryl]methanone.

Molecular Properties

Compound Name[2,6-bis(trifluoromethyl)phenyl]-[phenyl-(2,4,6-trichlorobenzoyl)phosphoryl]methanone
PubChem CID18513747
Molecular FormulaC22H10Cl3F6O3P
Molecular Weight573.64 g/mol
Exact Mass571.93
IUPAC Name[2,6-bis(trifluoromethyl)phenyl]-[phenyl-(2,4,6-trichlorobenzoyl)phosphoryl]methanone
SMILESO=C(c1c(Cl)cc(Cl)cc1Cl)P(=O)(C(=O)c1c(C(F)(F)F)cccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C22H10Cl3F6O3P/c23-11-9-15(24)18(16(25)10-11)20(33)35(34,12-5-2-1-3-6-12)19(32)17-13(21(26,27)28)7-4-8-14(17)22(29,30)31/h1-10H
InChIKeyWITFBDHBOFAESD-UHFFFAOYSA-N
XLogP8.35
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.64
LogP ≤ 58.35
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
[(4-Propylphenyl)phosphoryl]bis[(2,6-dichlorophenyl)methanone]
CID 14461414
Phosphine oxide, (butylphenyl)bis(2,6-dichlorobenzoyl)-
CID 71434765
[[2,6-Bis(trifluoromethyl)benzoyl]-phenylphosphoryl]-(2-chloro-6-methylphenyl)methanone
CID 18513882
[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
[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
(E)-1-(2,4-dichlorophenyl)-3-[2-(8-phenyloctyl)-5-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 19819084
(2E)-2-[[4-chloro-3-(trifluoromethyl)phenyl]methylidene]-3,4-dihydronaphthalen-1-one
CID 22918730
2-[[4-Chloro-3-(trifluoromethyl)phenyl]methylidene]-3,4-dihydronaphthalen-1-one
CID 53677332
1-(2,4-Dichlorophenyl)-3-[2-(8-phenyloctyl)-5-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 54134271

Frequently Asked Questions

What is the IUPAC name of [2,6-bis(trifluoromethyl)phenyl]-[phenyl-(2,4,6-trichlorobenzoyl)phosphoryl]methanone?
The IUPAC name of [2,6-bis(trifluoromethyl)phenyl]-[phenyl-(2,4,6-trichlorobenzoyl)phosphoryl]methanone (CID 18513747) is [2,6-bis(trifluoromethyl)phenyl]-[phenyl-(2,4,6-trichlorobenzoyl)phosphoryl]methanone.
What is the SMILES notation for [2,6-bis(trifluoromethyl)phenyl]-[phenyl-(2,4,6-trichlorobenzoyl)phosphoryl]methanone?
The canonical SMILES for [2,6-bis(trifluoromethyl)phenyl]-[phenyl-(2,4,6-trichlorobenzoyl)phosphoryl]methanone is O=C(c1c(Cl)cc(Cl)cc1Cl)P(=O)(C(=O)c1c(C(F)(F)F)cccc1C(F)(F)F)c1ccccc1.
What is the InChIKey of [2,6-bis(trifluoromethyl)phenyl]-[phenyl-(2,4,6-trichlorobenzoyl)phosphoryl]methanone?
The InChIKey is WITFBDHBOFAESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10Cl3F6O3P/c23-11-9-15(24)18(16(25)10-11)20(33)35(34,12-5-2-1-3-6-12)19(32)17-13(21(26,27)28)7-4-8-14(17)22(29,30)31/h1-10H.
What are the key properties of [2,6-bis(trifluoromethyl)phenyl]-[phenyl-(2,4,6-trichlorobenzoyl)phosphoryl]methanone?
[2,6-bis(trifluoromethyl)phenyl]-[phenyl-(2,4,6-trichlorobenzoyl)phosphoryl]methanone has a molecular weight of 573.64 g/mol, XLogP of 8.35, 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)phenyl]-[phenyl-(2,4,6-trichlorobenzoyl)phosphoryl]methanone is sourced from PubChem (CID 18513747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).