1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone

C14H8Cl2F2O — CID 115736507

IUPAC1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
SMILESO=C(Cc1cc(F)cc(F)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H8Cl2F2O/c15-9-1-2-12(13(16)6-9)14(19)5-8-3-10(17)7-11(18)4-8/h1-4,6-7H,5H2
InChIKeyJLPLYSKQUYGWCL-UHFFFAOYSA-N
MW301.12 g/mol
LogP4.70
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone

1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone (PubChem CID 115736507) has the molecular formula C14H8Cl2F2O and a molecular weight of 301.12 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
PubChem CID115736507
Molecular FormulaC14H8Cl2F2O
Molecular Weight301.12 g/mol
Exact Mass299.99
IUPAC Name1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
SMILESO=C(Cc1cc(F)cc(F)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H8Cl2F2O/c15-9-1-2-12(13(16)6-9)14(19)5-8-3-10(17)7-11(18)4-8/h1-4,6-7H,5H2
InChIKeyJLPLYSKQUYGWCL-UHFFFAOYSA-N
XLogP4.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.12
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 62789590
1-(2-amino-4-chlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 105405269
2-(3,5-difluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 62964616
2-(3-bromo-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
CID 79702795
2-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone
CID 63492855
1-(2,4-dichlorophenyl)-2-pyridin-4-ylethanone
CID 22142437
2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide
CID 37391840
1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone
CID 62945008
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 106761722
1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone
CID 63528200
1-(2-chloro-4-fluorophenyl)-2-(4-ethylphenyl)ethanone
CID 63410277
1-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 63409918

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone (CID 115736507) is 1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone is O=C(Cc1cc(F)cc(F)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone?
The InChIKey is JLPLYSKQUYGWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F2O/c15-9-1-2-12(13(16)6-9)14(19)5-8-3-10(17)7-11(18)4-8/h1-4,6-7H,5H2.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone?
1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone has a molecular weight of 301.12 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone is sourced from PubChem (CID 115736507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).