[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]-[4-(trifluoromethyl)phenyl]methanone

C22H15F6O2P — CID 164997994

IUPAC[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1ccc(P(=O)(C(=O)c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H15F6O2P/c1-14-2-10-18(11-3-14)31(30,19-12-8-17(9-13-19)22(26,27)28)20(29)15-4-6-16(7-5-15)21(23,24)25/h2-13H,1H3
InChIKeyBAVOCBUJFYLGFT-UHFFFAOYSA-N
MW456.32 g/mol
LogP6.19
Rot. Bonds4

About [(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]-[4-(trifluoromethyl)phenyl]methanone

[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 164997994) has the molecular formula C22H15F6O2P and a molecular weight of 456.32 g/mol. Its IUPAC name is [(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID164997994
Molecular FormulaC22H15F6O2P
Molecular Weight456.32 g/mol
Exact Mass456.07
IUPAC Name[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1ccc(P(=O)(C(=O)c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H15F6O2P/c1-14-2-10-18(11-3-14)31(30,19-12-8-17(9-13-19)22(26,27)28)20(29)15-4-6-16(7-5-15)21(23,24)25/h2-13H,1H3
InChIKeyBAVOCBUJFYLGFT-UHFFFAOYSA-N
XLogP6.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.32
LogP ≤ 56.19
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

bis(4-methylphenyl)phosphoryl-(4-methylphenyl)methanone
CID 154663446
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
1-methyl-4-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 101368482
(4-tert-butylphenyl)-diphenylphosphorylmethanone
CID 21464702
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
[3-methyl-5-[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 90132438
N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 4801581
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 770701
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
2-bis(4-methylphenyl)phosphoryl-7-bis[4-(trifluoromethyl)phenyl]phosphorylphenanthrene
CID 88865175
N-(diethoxyphosphorylmethyl)-1-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]methanimine
CID 76701477

Frequently Asked Questions

What is the IUPAC name of [(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]-[4-(trifluoromethyl)phenyl]methanone (CID 164997994) is [(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]-[4-(trifluoromethyl)phenyl]methanone is Cc1ccc(P(=O)(C(=O)c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of [(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is BAVOCBUJFYLGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F6O2P/c1-14-2-10-18(11-3-14)31(30,19-12-8-17(9-13-19)22(26,27)28)20(29)15-4-6-16(7-5-15)21(23,24)25/h2-13H,1H3.
What are the key properties of [(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]-[4-(trifluoromethyl)phenyl]methanone?
[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 456.32 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 164997994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).