[2-(4-fluorophenyl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate

C16H11Cl2FO4 — CID 2352642

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1Cl)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H11Cl2FO4/c17-11-3-6-15(13(18)7-11)22-9-16(21)23-8-14(20)10-1-4-12(19)5-2-10/h1-7H,8-9H2
InChIKeyKGBNCQPVQZMNLA-UHFFFAOYSA-N
MW357.16 g/mol
LogP3.94
Rot. Bonds6

About [2-(4-fluorophenyl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate

[2-(4-fluorophenyl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate (PubChem CID 2352642) has the molecular formula C16H11Cl2FO4 and a molecular weight of 357.16 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
PubChem CID2352642
Molecular FormulaC16H11Cl2FO4
Molecular Weight357.16 g/mol
Exact Mass356.00
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1Cl)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H11Cl2FO4/c17-11-3-6-15(13(18)7-11)22-9-16(21)23-8-14(20)10-1-4-12(19)5-2-10/h1-7H,8-9H2
InChIKeyKGBNCQPVQZMNLA-UHFFFAOYSA-N
XLogP3.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.16
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate (CID 2352642) is [2-(4-fluorophenyl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate is O=C(COc1ccc(Cl)cc1Cl)OCC(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is KGBNCQPVQZMNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FO4/c17-11-3-6-15(13(18)7-11)22-9-16(21)23-8-14(20)10-1-4-12(19)5-2-10/h1-7H,8-9H2.
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
[2-(4-fluorophenyl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 357.16 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 2352642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).