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

C14H8Cl2F2O — CID 65321264

IUPAC2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
SMILESO=C(Cc1cc(Cl)ccc1Cl)c1cc(F)ccc1F
InChIInChI=1S/C14H8Cl2F2O/c15-9-1-3-12(16)8(5-9)6-14(19)11-7-10(17)2-4-13(11)18/h1-5,7H,6H2
InChIKeyACGRIKCDNJVAJI-UHFFFAOYSA-N
MW301.12 g/mol
LogP4.70
Rot. Bonds3

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

2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone (PubChem CID 65321264) has the molecular formula C14H8Cl2F2O and a molecular weight of 301.12 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
PubChem CID65321264
Molecular FormulaC14H8Cl2F2O
Molecular Weight301.12 g/mol
Exact Mass299.99
IUPAC Name2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
SMILESO=C(Cc1cc(Cl)ccc1Cl)c1cc(F)ccc1F
InChIInChI=1S/C14H8Cl2F2O/c15-9-1-3-12(16)8(5-9)6-14(19)11-7-10(17)2-4-13(11)18/h1-5,7H,6H2
InChIKeyACGRIKCDNJVAJI-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

2-(2,5-dichlorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 65317205
2-(2,4-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 62802262
2-(2,5-dichlorophenyl)-1-(4-fluorophenyl)ethanone
CID 65316679
2-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 102617587
1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone
CID 62945008
1-(5-chloro-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanone
CID 114973852
2-(2-chloro-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)ethanone
CID 102617677
1-[2-(2-aminoethyl)phenyl]-2-(2-chloro-5-fluorophenyl)ethanone
CID 102622133
2-[2-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)ethanone
CID 116595920
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanone
CID 102617766
1-(3-bromo-4-fluorophenyl)-2-(2-chloro-5-fluorophenyl)ethanone
CID 102617798
1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 114025529

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone (CID 65321264) is 2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone is O=C(Cc1cc(Cl)ccc1Cl)c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone?
The InChIKey is ACGRIKCDNJVAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F2O/c15-9-1-3-12(16)8(5-9)6-14(19)11-7-10(17)2-4-13(11)18/h1-5,7H,6H2.
What are the key properties of 2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone?
2-(2,5-dichlorophenyl)-1-(2,5-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 2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone is sourced from PubChem (CID 65321264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).