2-(4-chlorophenoxy)-1-(2,4-dichlorophenyl)-2-fluoroethanone

C14H8Cl3FO2 — CID 86098425

IUPAC2-(4-chlorophenoxy)-1-(2,4-dichlorophenyl)-2-fluoroethanone
SMILESO=C(c1ccc(Cl)cc1Cl)C(F)Oc1ccc(Cl)cc1
InChIInChI=1S/C14H8Cl3FO2/c15-8-1-4-10(5-2-8)20-14(18)13(19)11-6-3-9(16)7-12(11)17/h1-7,14H
InChIKeyIBYMAIOTDXTDOS-UHFFFAOYSA-N
MW333.57 g/mol
LogP5.20
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-(2,4-dichlorophenyl)-2-fluoroethanone

2-(4-chlorophenoxy)-1-(2,4-dichlorophenyl)-2-fluoroethanone (PubChem CID 86098425) has the molecular formula C14H8Cl3FO2 and a molecular weight of 333.57 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(2,4-dichlorophenyl)-2-fluoroethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(2,4-dichlorophenyl)-2-fluoroethanone
PubChem CID86098425
Molecular FormulaC14H8Cl3FO2
Molecular Weight333.57 g/mol
Exact Mass331.96
IUPAC Name2-(4-chlorophenoxy)-1-(2,4-dichlorophenyl)-2-fluoroethanone
SMILESO=C(c1ccc(Cl)cc1Cl)C(F)Oc1ccc(Cl)cc1
InChIInChI=1S/C14H8Cl3FO2/c15-8-1-4-10(5-2-8)20-14(18)13(19)11-6-3-9(16)7-12(11)17/h1-7,14H
InChIKeyIBYMAIOTDXTDOS-UHFFFAOYSA-N
XLogP5.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.57
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenoxy)-1-(2,4-dichlorophenyl)-2-fluoroethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-2-(3-chlorophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 20574469
(2,4-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanone
CID 63492359
2-[4-(4-chlorophenyl)phenoxy]-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanone;hydrochloride
CID 131883283
3-(2,4-dichlorophenyl)-2-methyl-3-oxopropanoic acid
CID 116918261
2,4-ditert-butyl-1,5-bis(2,4-dichlorophenyl)pentane-1,3,5-trione
CID 139770202
2-(2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 63565663
4-(4-chlorophenoxy)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)pentane-1,3-dione
CID 23625915
1-(2,4-dichlorophenyl)-2-hydroxy-3-methylbutan-1-one
CID 130517010
2-bromo-2-(2,6-dichlorophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 20574488
N-(4-butan-2-yloxyphenyl)-2,4-dichlorobenzamide
CID 17160527
1-(2,4-dichlorophenyl)-2-(2-fluoro-5-methylphenoxy)propan-1-one
CID 64854263
2,4-dichloro-N'-(4-propan-2-yloxybenzoyl)benzohydrazide
CID 4952081

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(2,4-dichlorophenyl)-2-fluoroethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-(2,4-dichlorophenyl)-2-fluoroethanone (CID 86098425) is 2-(4-chlorophenoxy)-1-(2,4-dichlorophenyl)-2-fluoroethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(2,4-dichlorophenyl)-2-fluoroethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(2,4-dichlorophenyl)-2-fluoroethanone is O=C(c1ccc(Cl)cc1Cl)C(F)Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(2,4-dichlorophenyl)-2-fluoroethanone?
The InChIKey is IBYMAIOTDXTDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3FO2/c15-8-1-4-10(5-2-8)20-14(18)13(19)11-6-3-9(16)7-12(11)17/h1-7,14H.
What are the key properties of 2-(4-chlorophenoxy)-1-(2,4-dichlorophenyl)-2-fluoroethanone?
2-(4-chlorophenoxy)-1-(2,4-dichlorophenyl)-2-fluoroethanone has a molecular weight of 333.57 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(2,4-dichlorophenyl)-2-fluoroethanone is sourced from PubChem (CID 86098425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).