2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone

C14H9ClF2O2 — CID 60656400

IUPAC2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
SMILESO=C(COc1cccc(Cl)c1)c1ccc(F)cc1F
InChIInChI=1S/C14H9ClF2O2/c15-9-2-1-3-11(6-9)19-8-14(18)12-5-4-10(16)7-13(12)17/h1-7H,8H2
InChIKeyJTIYMSHDWWRVBI-UHFFFAOYSA-N
MW282.67 g/mol
LogP3.88
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone

2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone (PubChem CID 60656400) has the molecular formula C14H9ClF2O2 and a molecular weight of 282.67 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
PubChem CID60656400
Molecular FormulaC14H9ClF2O2
Molecular Weight282.67 g/mol
Exact Mass282.03
IUPAC Name2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
SMILESO=C(COc1cccc(Cl)c1)c1ccc(F)cc1F
InChIInChI=1S/C14H9ClF2O2/c15-9-2-1-3-11(6-9)19-8-14(18)12-5-4-10(16)7-13(12)17/h1-7H,8H2
InChIKeyJTIYMSHDWWRVBI-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.67
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 43612511
1-(2,4-difluorophenyl)-2-(3-propan-2-ylphenoxy)ethanone
CID 43612562
2-(2-bromo-4-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 60656484
2-(3-bromophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60625676
1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62335593
2-(3-chloro-4-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60624522
2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanone
CID 60975454
2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)ethanone
CID 105095876
4-chloro-2-[2-(2,4-difluorophenyl)-2-oxoethoxy]benzonitrile
CID 114323759
2-(3,4-dichlorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60624448
1-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412670
2-(3-chlorophenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 60662425

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone?
The IUPAC name of 2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone (CID 60656400) is 2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone is O=C(COc1cccc(Cl)c1)c1ccc(F)cc1F.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone?
The InChIKey is JTIYMSHDWWRVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2O2/c15-9-2-1-3-11(6-9)19-8-14(18)12-5-4-10(16)7-13(12)17/h1-7H,8H2.
What are the key properties of 2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone?
2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone has a molecular weight of 282.67 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone is sourced from PubChem (CID 60656400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).