1-(2,4-difluorophenyl)-1-(4-fluorophenyl)-1-phenylpropan-2-one

C21H15F3O — CID 59226934

IUPAC1-(2,4-difluorophenyl)-1-(4-fluorophenyl)-1-phenylpropan-2-one
SMILESCC(=O)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1F
InChIInChI=1S/C21H15F3O/c1-14(25)21(15-5-3-2-4-6-15,16-7-9-17(22)10-8-16)19-12-11-18(23)13-20(19)24/h2-13H,1H3
InChIKeyDVEWNBZONQFFMU-UHFFFAOYSA-N
MW340.34 g/mol
LogP5.03
Rot. Bonds4

About 1-(2,4-difluorophenyl)-1-(4-fluorophenyl)-1-phenylpropan-2-one

1-(2,4-difluorophenyl)-1-(4-fluorophenyl)-1-phenylpropan-2-one (PubChem CID 59226934) has the molecular formula C21H15F3O and a molecular weight of 340.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-1-(4-fluorophenyl)-1-phenylpropan-2-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-1-(4-fluorophenyl)-1-phenylpropan-2-one
PubChem CID59226934
Molecular FormulaC21H15F3O
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name1-(2,4-difluorophenyl)-1-(4-fluorophenyl)-1-phenylpropan-2-one
SMILESCC(=O)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1F
InChIInChI=1S/C21H15F3O/c1-14(25)21(15-5-3-2-4-6-15,16-7-9-17(22)10-8-16)19-12-11-18(23)13-20(19)24/h2-13H,1H3
InChIKeyDVEWNBZONQFFMU-UHFFFAOYSA-N
XLogP5.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.34
LogP ≤ 55.03
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-(2,4-difluorophenyl)-1-phenylpropan-1-ol
CID 62800875
1-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]propan-2-one
CID 59226926
1-(3-bromo-4-fluorophenyl)-1,1-bis(4-fluorophenyl)propan-2-one
CID 59226930
1-(2,4-difluorophenyl)-1-(4-fluorophenyl)ethanol
CID 62802529
1,1-difluoro-1-(4-fluorophenyl)propan-2-one
CID 83854791
2,2,2-tris(4-fluorophenyl)acetic acid
CID 91545050
2-(2,4-difluorophenyl)-2-ethylbutanoic acid
CID 64560988
2-(2,4-difluorophenyl)-2-methylpentanedioic acid
CID 117050132
1,1-diphenyl-1-pyridin-4-ylpropan-2-one
CID 123238663
1-fluoro-4-[1-(4-fluorophenyl)-1-phenylethyl]benzene
CID 58537150
(1S)-1-(4-chloro-2-methylphenyl)-1-(2-methyl-4-pyridinyl)-1-phenylpropan-2-one
CID 66667313
acetic acid;2-fluoronaphthalene
CID 174506324

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-1-(4-fluorophenyl)-1-phenylpropan-2-one?
The IUPAC name of 1-(2,4-difluorophenyl)-1-(4-fluorophenyl)-1-phenylpropan-2-one (CID 59226934) is 1-(2,4-difluorophenyl)-1-(4-fluorophenyl)-1-phenylpropan-2-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-1-(4-fluorophenyl)-1-phenylpropan-2-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-1-(4-fluorophenyl)-1-phenylpropan-2-one is CC(=O)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-1-(4-fluorophenyl)-1-phenylpropan-2-one?
The InChIKey is DVEWNBZONQFFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3O/c1-14(25)21(15-5-3-2-4-6-15,16-7-9-17(22)10-8-16)19-12-11-18(23)13-20(19)24/h2-13H,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-1-(4-fluorophenyl)-1-phenylpropan-2-one?
1-(2,4-difluorophenyl)-1-(4-fluorophenyl)-1-phenylpropan-2-one has a molecular weight of 340.34 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-1-(4-fluorophenyl)-1-phenylpropan-2-one is sourced from PubChem (CID 59226934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).