1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone

C14H7Cl2F3O — CID 107475686

IUPAC1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C14H7Cl2F3O/c15-9-2-1-3-11(17)7(9)5-14(20)8-4-12(18)13(19)6-10(8)16/h1-4,6H,5H2
InChIKeyOUAGTIGPNIYEDF-UHFFFAOYSA-N
MW319.11 g/mol
LogP4.84
Rot. Bonds3

About 1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone

1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone (PubChem CID 107475686) has the molecular formula C14H7Cl2F3O and a molecular weight of 319.11 g/mol. Its IUPAC name is 1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone
PubChem CID107475686
Molecular FormulaC14H7Cl2F3O
Molecular Weight319.11 g/mol
Exact Mass317.98
IUPAC Name1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C14H7Cl2F3O/c15-9-2-1-3-11(17)7(9)5-14(20)8-4-12(18)13(19)6-10(8)16/h1-4,6H,5H2
InChIKeyOUAGTIGPNIYEDF-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.11
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2,6-difluorophenyl)ethanone
CID 81046039
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 82883461
1-(2-amino-4-chlorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 64914010
2-(2-chloro-6-fluorophenyl)-1-(2,4-dihydroxyphenyl)ethanone
CID 800932
2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105349147
2-(2,6-dichlorophenyl)-1-(2-fluorophenyl)ethanone
CID 62500601
2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)ethanone
CID 43337883
2-(2-chloro-6-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone
CID 114024581
2-(2-chloro-6-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanone
CID 63749070
2-(2-chloro-6-fluorophenyl)-1-(6-fluoro-1H-indol-3-yl)ethanone
CID 43163477
2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone
CID 106880766
1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one
CID 63411519

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone?
The IUPAC name of 1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone (CID 107475686) is 1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone?
The canonical SMILES for 1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone is O=C(Cc1c(F)cccc1Cl)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone?
The InChIKey is OUAGTIGPNIYEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3O/c15-9-2-1-3-11(17)7(9)5-14(20)8-4-12(18)13(19)6-10(8)16/h1-4,6H,5H2.
What are the key properties of 1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone?
1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone has a molecular weight of 319.11 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone is sourced from PubChem (CID 107475686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).