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

C22H15F6O2P — CID 18514169

IUPAC[benzyl(phenyl)phosphoryl]-[2,6-bis(trifluoromethyl)phenyl]methanone
SMILESO=C(c1c(C(F)(F)F)cccc1C(F)(F)F)P(=O)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H15F6O2P/c23-21(24,25)17-12-7-13-18(22(26,27)28)19(17)20(29)31(30,16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1-13H,14H2
InChIKeyQNHDKUGHPQAHRT-UHFFFAOYSA-N
MW456.32 g/mol
LogP6.75
Rot. Bonds5

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

[benzyl(phenyl)phosphoryl]-[2,6-bis(trifluoromethyl)phenyl]methanone (PubChem CID 18514169) has the molecular formula C22H15F6O2P and a molecular weight of 456.32 g/mol. Its IUPAC name is [benzyl(phenyl)phosphoryl]-[2,6-bis(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[benzyl(phenyl)phosphoryl]-[2,6-bis(trifluoromethyl)phenyl]methanone
PubChem CID18514169
Molecular FormulaC22H15F6O2P
Molecular Weight456.32 g/mol
Exact Mass456.07
IUPAC Name[benzyl(phenyl)phosphoryl]-[2,6-bis(trifluoromethyl)phenyl]methanone
SMILESO=C(c1c(C(F)(F)F)cccc1C(F)(F)F)P(=O)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H15F6O2P/c23-21(24,25)17-12-7-13-18(22(26,27)28)19(17)20(29)31(30,16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1-13H,14H2
InChIKeyQNHDKUGHPQAHRT-UHFFFAOYSA-N
XLogP6.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.32
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-Trimethylbenzoyl diphenylphosphine oxide
CID 166480
Bis-trimethylbenzoyl phenylphosphine oxide
CID 164512
2-Buten-1-one, 1-(9-anthryl)-4,4,4-trifluoro-3-trifluoromethyl-
CID 57916
(Bis(4-methylphenyl)phosphoryl)(mesityl)methanone
CID 21982679
SK&F 62775
CID 191427
1-(3-Diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)ethanone
CID 140903591
[4-[3,5-Bis(trifluoromethyl)phenyl]phenyl]-phenylmethanone
CID 168275356
4,4,5,5,6,6,6-Heptafluoro-1-[4-[4-(4,4,5,5,6,6,6-heptafluoro-3-oxohexanoyl)-2-phenylphenyl]phenyl]hexane-1,3-dione
CID 15461504
2-Diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]ethanone
CID 135035115
(Diphenylphosphoryl)(phenyl)methanone
CID 12495904
Phenyl-(2,3,4,5-tetrafluoro-6-phenylphenyl)methanone
CID 12753960
[(4,4,4-Trifluoro-2-methylbutyl)-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 59218779

Frequently Asked Questions

What is the IUPAC name of [benzyl(phenyl)phosphoryl]-[2,6-bis(trifluoromethyl)phenyl]methanone?
The IUPAC name of [benzyl(phenyl)phosphoryl]-[2,6-bis(trifluoromethyl)phenyl]methanone (CID 18514169) is [benzyl(phenyl)phosphoryl]-[2,6-bis(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [benzyl(phenyl)phosphoryl]-[2,6-bis(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [benzyl(phenyl)phosphoryl]-[2,6-bis(trifluoromethyl)phenyl]methanone is O=C(c1c(C(F)(F)F)cccc1C(F)(F)F)P(=O)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of [benzyl(phenyl)phosphoryl]-[2,6-bis(trifluoromethyl)phenyl]methanone?
The InChIKey is QNHDKUGHPQAHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F6O2P/c23-21(24,25)17-12-7-13-18(22(26,27)28)19(17)20(29)31(30,16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1-13H,14H2.
What are the key properties of [benzyl(phenyl)phosphoryl]-[2,6-bis(trifluoromethyl)phenyl]methanone?
[benzyl(phenyl)phosphoryl]-[2,6-bis(trifluoromethyl)phenyl]methanone has a molecular weight of 456.32 g/mol, XLogP of 6.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [benzyl(phenyl)phosphoryl]-[2,6-bis(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 18514169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).