2-(3-chloro-4-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone

C14H8ClF3O2 — CID 60624522

IUPAC2-(3-chloro-4-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone
SMILESO=C(COc1ccc(F)c(Cl)c1)c1cc(F)ccc1F
InChIInChI=1S/C14H8ClF3O2/c15-11-6-9(2-4-13(11)18)20-7-14(19)10-5-8(16)1-3-12(10)17/h1-6H,7H2
InChIKeyFDKXWYLSZQMEKN-UHFFFAOYSA-N
MW300.66 g/mol
LogP4.02
Rot. Bonds4

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

2-(3-chloro-4-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone (PubChem CID 60624522) has the molecular formula C14H8ClF3O2 and a molecular weight of 300.66 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone
PubChem CID60624522
Molecular FormulaC14H8ClF3O2
Molecular Weight300.66 g/mol
Exact Mass300.02
IUPAC Name2-(3-chloro-4-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone
SMILESO=C(COc1ccc(F)c(Cl)c1)c1cc(F)ccc1F
InChIInChI=1S/C14H8ClF3O2/c15-11-6-9(2-4-13(11)18)20-7-14(19)10-5-8(16)1-3-12(10)17/h1-6H,7H2
InChIKeyFDKXWYLSZQMEKN-UHFFFAOYSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.66
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60624448
2-(3,5-difluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 62785048
2-(3-chloro-4-fluorophenoxy)-1-(3-fluorophenyl)ethanone
CID 60675294
2-(3-bromophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60625676
2-(3-chloro-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 60624523
2-(3,4-difluorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 43612511
2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 60656400
methyl 2-(3-chloro-4-fluorophenoxy)acetate
CID 43235932
2-(3-chloro-4-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 60624469
2-chloro-4-(2-chloroprop-2-enoxy)-1-fluorobenzene
CID 130701896
2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112778755
2-(4-bromo-2-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60626920

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone (CID 60624522) is 2-(3-chloro-4-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone is O=C(COc1ccc(F)c(Cl)c1)c1cc(F)ccc1F.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone?
The InChIKey is FDKXWYLSZQMEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3O2/c15-11-6-9(2-4-13(11)18)20-7-14(19)10-5-8(16)1-3-12(10)17/h1-6H,7H2.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone?
2-(3-chloro-4-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone has a molecular weight of 300.66 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone is sourced from PubChem (CID 60624522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).