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

C14H8Cl2F2O — CID 63409918

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

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

1-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone (PubChem CID 63409918) has the molecular formula C14H8Cl2F2O and a molecular weight of 301.12 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
PubChem CID63409918
Molecular FormulaC14H8Cl2F2O
Molecular Weight301.12 g/mol
Exact Mass299.99
IUPAC Name1-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
SMILESO=C(Cc1cc(F)cc(F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl2F2O/c15-12-2-1-9(6-13(12)16)14(19)5-8-3-10(17)7-11(18)4-8/h1-4,6-7H,5H2
InChIKeyDOYORFXYUZURJX-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-(4-amino-3,5-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 105412077
1-(2,5-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 62789590
(3,4-dichlorophenyl)-(3,5-difluorophenyl)methanone
CID 2758085
1-(3-chloro-4-iodophenyl)-2-(3,4-dichlorophenyl)ethanone
CID 103214014
2-(3-aminophenyl)-1-(3,4-dichlorophenyl)ethanone
CID 116577263
1-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)ethanone
CID 63194906
2-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanone
CID 54959513
1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 115736507
2-(3,5-difluorophenyl)-1-(3-methyl-4-methylsulfanylphenyl)ethanone
CID 18386065
1-[2-(aminomethyl)-4-pyridinyl]-2-(3,5-difluorophenyl)ethanone
CID 105412051
2-(2-amino-4-pyridinyl)-1-(3,4-dichlorophenyl)ethanone
CID 81491660
2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone
CID 63409426

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone (CID 63409918) is 1-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone is O=C(Cc1cc(F)cc(F)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone?
The InChIKey is DOYORFXYUZURJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F2O/c15-12-2-1-9(6-13(12)16)14(19)5-8-3-10(17)7-11(18)4-8/h1-4,6-7H,5H2.
What are the key properties of 1-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone?
1-(3,4-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-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone is sourced from PubChem (CID 63409918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).