2-(3,4-difluorophenoxy)-1-thiophen-2-ylethanone

C12H8F2O2S — CID 43612539

IUPAC2-(3,4-difluorophenoxy)-1-thiophen-2-ylethanone
SMILESO=C(COc1ccc(F)c(F)c1)c1cccs1
InChIInChI=1S/C12H8F2O2S/c13-9-4-3-8(6-10(9)14)16-7-11(15)12-2-1-5-17-12/h1-6H,7H2
InChIKeySKYZMCGPRVRPPA-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.29
Rot. Bonds4

About 2-(3,4-difluorophenoxy)-1-thiophen-2-ylethanone

2-(3,4-difluorophenoxy)-1-thiophen-2-ylethanone (PubChem CID 43612539) has the molecular formula C12H8F2O2S and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-1-thiophen-2-ylethanone
PubChem CID43612539
Molecular FormulaC12H8F2O2S
Molecular Weight254.26 g/mol
Exact Mass254.02
IUPAC Name2-(3,4-difluorophenoxy)-1-thiophen-2-ylethanone
SMILESO=C(COc1ccc(F)c(F)c1)c1cccs1
InChIInChI=1S/C12H8F2O2S/c13-9-4-3-8(6-10(9)14)16-7-11(15)12-2-1-5-17-12/h1-6H,7H2
InChIKeySKYZMCGPRVRPPA-UHFFFAOYSA-N
XLogP3.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-2-yloxy-1-thiophen-2-ylethanone
CID 43413543
2-(3,4-dimethylphenoxy)-1-thiophen-2-ylethanone
CID 43412330
2-(3-chlorophenoxy)-1-thiophen-2-ylethanone
CID 60625787
2-(2,3-dihydro-1H-inden-5-yloxy)-1-thiophen-2-ylethanone
CID 43411849
2-(4-ethylphenoxy)-1-thiophen-2-ylethanone
CID 43412734
2-(3,4-difluorophenoxy)-1-(3,4-difluorophenyl)ethanone
CID 43612522
2-(3-methyl-4-propan-2-ylphenoxy)-1-thiophen-2-ylethanone
CID 43412118
2-(2,4-dichlorophenoxy)-1-thiophen-2-ylethanone
CID 60625907
2-(4-nitrophenoxy)-1-thiophen-2-ylethanone
CID 60625574
2-[4-(2-oxo-2-thiophen-2-ylethoxy)phenyl]acetonitrile
CID 60624193
2-fluoro-6-(2-oxo-2-thiophen-2-ylethoxy)benzamide
CID 62034000
2-(3,4-difluorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 43612511

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(3,4-difluorophenoxy)-1-thiophen-2-ylethanone (CID 43612539) is 2-(3,4-difluorophenoxy)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(3,4-difluorophenoxy)-1-thiophen-2-ylethanone is O=C(COc1ccc(F)c(F)c1)c1cccs1.
What is the InChIKey of 2-(3,4-difluorophenoxy)-1-thiophen-2-ylethanone?
The InChIKey is SKYZMCGPRVRPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2O2S/c13-9-4-3-8(6-10(9)14)16-7-11(15)12-2-1-5-17-12/h1-6H,7H2.
What are the key properties of 2-(3,4-difluorophenoxy)-1-thiophen-2-ylethanone?
2-(3,4-difluorophenoxy)-1-thiophen-2-ylethanone has a molecular weight of 254.26 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-1-thiophen-2-ylethanone is sourced from PubChem (CID 43612539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).