3-(2,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-one

C15H11Cl2FO — CID 68742879

IUPAC3-(2,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-one
SMILESO=C(CCc1ccc(Cl)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C15H11Cl2FO/c16-12-5-1-10(14(17)9-12)4-8-15(19)11-2-6-13(18)7-3-11/h1-3,5-7,9H,4,8H2
InChIKeyXDLZGIILBLJPME-UHFFFAOYSA-N
MW297.16 g/mol
LogP4.95
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-one

3-(2,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-one (PubChem CID 68742879) has the molecular formula C15H11Cl2FO and a molecular weight of 297.16 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-one
PubChem CID68742879
Molecular FormulaC15H11Cl2FO
Molecular Weight297.16 g/mol
Exact Mass296.02
IUPAC Name3-(2,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-one
SMILESO=C(CCc1ccc(Cl)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C15H11Cl2FO/c16-12-5-1-10(14(17)9-12)4-8-15(19)11-2-6-13(18)7-3-11/h1-3,5-7,9H,4,8H2
InChIKeyXDLZGIILBLJPME-UHFFFAOYSA-N
XLogP4.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-dichlorophenyl)-1-(4-fluorophenyl)ethanone
CID 65316679
3-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-one
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1-chloro-4-(2,4-dichlorophenyl)butan-2-one
CID 20507775
3-(2,5-dichlorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 62028936
2-(2,4-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 62802262
1-[2-(2,4-dichlorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 108988923
2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 114853604
2-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 102617587
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
1-(3-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 81467093
3-(2,5-dimethylphenyl)-1-(4-fluorophenyl)propan-1-one
CID 24726343
1-(3-chlorophenyl)-3-(4-fluorophenyl)propan-1-one
CID 24726182

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-one (CID 68742879) is 3-(2,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-one is O=C(CCc1ccc(Cl)cc1Cl)c1ccc(F)cc1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-one?
The InChIKey is XDLZGIILBLJPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO/c16-12-5-1-10(14(17)9-12)4-8-15(19)11-2-6-13(18)7-3-11/h1-3,5-7,9H,4,8H2.
What are the key properties of 3-(2,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-one?
3-(2,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-one has a molecular weight of 297.16 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 68742879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).