2-(3,4-dichlorophenoxy)-1-(2,5-difluorophenyl)ethanone

C14H8Cl2F2O2 — CID 60624448

IUPAC2-(3,4-dichlorophenoxy)-1-(2,5-difluorophenyl)ethanone
SMILESO=C(COc1ccc(Cl)c(Cl)c1)c1cc(F)ccc1F
InChIInChI=1S/C14H8Cl2F2O2/c15-11-3-2-9(6-12(11)16)20-7-14(19)10-5-8(17)1-4-13(10)18/h1-6H,7H2
InChIKeyMWFZSFLYFRWADA-UHFFFAOYSA-N
MW317.12 g/mol
LogP4.53
Rot. Bonds4

About 2-(3,4-dichlorophenoxy)-1-(2,5-difluorophenyl)ethanone

2-(3,4-dichlorophenoxy)-1-(2,5-difluorophenyl)ethanone (PubChem CID 60624448) has the molecular formula C14H8Cl2F2O2 and a molecular weight of 317.12 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-1-(2,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-1-(2,5-difluorophenyl)ethanone
PubChem CID60624448
Molecular FormulaC14H8Cl2F2O2
Molecular Weight317.12 g/mol
Exact Mass315.99
IUPAC Name2-(3,4-dichlorophenoxy)-1-(2,5-difluorophenyl)ethanone
SMILESO=C(COc1ccc(Cl)c(Cl)c1)c1cc(F)ccc1F
InChIInChI=1S/C14H8Cl2F2O2/c15-11-3-2-9(6-12(11)16)20-7-14(19)10-5-8(17)1-4-13(10)18/h1-6H,7H2
InChIKeyMWFZSFLYFRWADA-UHFFFAOYSA-N
XLogP4.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.12
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60624522
2-(3,5-difluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 62785048
2-(3-bromophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60625676
2-(3,4-difluorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 43612511
2-(3-chloro-4-fluorophenoxy)-1-(3-fluorophenyl)ethanone
CID 60675294
2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 60656400
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 65321264
1-(2-bromophenyl)-2-(4-chloro-3-fluorophenoxy)ethanone
CID 82716737
2-(3-chloro-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 60624523
1-(2,5-dichlorophenyl)-2-(4-ethoxyphenoxy)ethanone
CID 43411639
1-(3,4-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one
CID 62034523
2-(4-bromo-2-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60626920

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-1-(2,5-difluorophenyl)ethanone?
The IUPAC name of 2-(3,4-dichlorophenoxy)-1-(2,5-difluorophenyl)ethanone (CID 60624448) is 2-(3,4-dichlorophenoxy)-1-(2,5-difluorophenyl)ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-1-(2,5-difluorophenyl)ethanone?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-1-(2,5-difluorophenyl)ethanone is O=C(COc1ccc(Cl)c(Cl)c1)c1cc(F)ccc1F.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-1-(2,5-difluorophenyl)ethanone?
The InChIKey is MWFZSFLYFRWADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F2O2/c15-11-3-2-9(6-12(11)16)20-7-14(19)10-5-8(17)1-4-13(10)18/h1-6H,7H2.
What are the key properties of 2-(3,4-dichlorophenoxy)-1-(2,5-difluorophenyl)ethanone?
2-(3,4-dichlorophenoxy)-1-(2,5-difluorophenyl)ethanone has a molecular weight of 317.12 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-1-(2,5-difluorophenyl)ethanone is sourced from PubChem (CID 60624448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).