1-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]propan-2-one

C23H16F6O — CID 59226926

IUPAC1-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]propan-2-one
SMILESCC(=O)C(c1ccccc1)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H16F6O/c1-15(30)21(16-5-3-2-4-6-16,17-7-11-19(12-8-17)22(24,25)26)18-9-13-20(14-10-18)23(27,28)29/h2-14H,1H3
InChIKeyPGGGSGNYGIVENI-UHFFFAOYSA-N
MW422.37 g/mol
LogP6.65
Rot. Bonds4

About 1-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]propan-2-one

1-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 59226926) has the molecular formula C23H16F6O and a molecular weight of 422.37 g/mol. Its IUPAC name is 1-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]propan-2-one
PubChem CID59226926
Molecular FormulaC23H16F6O
Molecular Weight422.37 g/mol
Exact Mass422.11
IUPAC Name1-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]propan-2-one
SMILESCC(=O)C(c1ccccc1)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H16F6O/c1-15(30)21(16-5-3-2-4-6-16,17-7-11-19(12-8-17)22(24,25)26)18-9-13-20(14-10-18)23(27,28)29/h2-14H,1H3
InChIKeyPGGGSGNYGIVENI-UHFFFAOYSA-N
XLogP6.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.37
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1,1-diphenyl-1-pyridin-4-ylpropan-2-one
CID 123238663
2-methylprop-2-enoic acid;trifluoromethylbenzene
CID 175145896
ethane;bis(trifluoromethylbenzene)
CID 142912000
tert-butyl acetate;trifluoromethylbenzene
CID 135377327
trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194
diphenyl-[4-(trifluoromethyl)phenyl]methanol
CID 569997
1-(2,4-difluorophenyl)-1-(4-fluorophenyl)-1-phenylpropan-2-one
CID 59226934
1,1-difluoro-1-(4-phenylphenyl)propan-2-one
CID 71022279
CID 161391832
CID 161391832
N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide
CID 113091749
1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene
CID 154308793

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]propan-2-one (CID 59226926) is 1-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]propan-2-one is CC(=O)C(c1ccccc1)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is PGGGSGNYGIVENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F6O/c1-15(30)21(16-5-3-2-4-6-16,17-7-11-19(12-8-17)22(24,25)26)18-9-13-20(14-10-18)23(27,28)29/h2-14H,1H3.
What are the key properties of 1-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]propan-2-one?
1-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 422.37 g/mol, XLogP of 6.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 59226926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).