1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]propan-1-one

C15H11Cl2FO — CID 118813125

IUPAC1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]propan-1-one
SMILESCCC(=O)c1ccc(F)cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2FO/c1-2-15(19)12-6-4-10(18)8-13(12)11-5-3-9(16)7-14(11)17/h3-8H,2H2,1H3
InChIKeyNLSDOQNTOUMVDX-UHFFFAOYSA-N
MW297.16 g/mol
LogP5.39
Rot. Bonds3

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

1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]propan-1-one (PubChem CID 118813125) has the molecular formula C15H11Cl2FO and a molecular weight of 297.16 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]propan-1-one
PubChem CID118813125
Molecular FormulaC15H11Cl2FO
Molecular Weight297.16 g/mol
Exact Mass296.02
IUPAC Name1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]propan-1-one
SMILESCCC(=O)c1ccc(F)cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2FO/c1-2-15(19)12-6-4-10(18)8-13(12)11-5-3-9(16)7-14(11)17/h3-8H,2H2,1H3
InChIKeyNLSDOQNTOUMVDX-UHFFFAOYSA-N
XLogP5.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.16
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-fluoro-2-(2,3,4,5,6-pentachlorophenyl)phenyl]propan-1-one
CID 134615598
1-(2-chloro-4-fluorophenyl)propan-1-one
CID 19009630
[2-(2,4-dichlorophenyl)-5-fluorophenyl]methanol
CID 118807413
ethyl 2-(2,4-dichlorophenyl)-5-phenyl-4-propanoylbenzoate
CID 142540959
2-(2,4-dichlorophenyl)-5-fluoro-4-methylbenzoic acid
CID 172914048
(2,4-dichlorophenyl)-(2,4-difluorophenyl)methanone
CID 43159987
2-(2,4-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 62802262
1-[2-(2-chlorophenyl)-4-iodophenyl]propan-1-one
CID 174383216
1-(4-chloro-2-methoxyphenyl)propan-1-one
CID 19901195
2-(2,5-dichlorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 65317205
1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one
CID 112677568
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]propan-1-one?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]propan-1-one (CID 118813125) is 1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]propan-1-one.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]propan-1-one?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]propan-1-one is CCC(=O)c1ccc(F)cc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]propan-1-one?
The InChIKey is NLSDOQNTOUMVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO/c1-2-15(19)12-6-4-10(18)8-13(12)11-5-3-9(16)7-14(11)17/h3-8H,2H2,1H3.
What are the key properties of 1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]propan-1-one?
1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]propan-1-one has a molecular weight of 297.16 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]propan-1-one is sourced from PubChem (CID 118813125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).