4-(2,3-difluorophenoxy)-1-thiophen-2-ylbutan-1-one

C14H12F2O2S — CID 63038347

IUPAC4-(2,3-difluorophenoxy)-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCOc1cccc(F)c1F)c1cccs1
InChIInChI=1S/C14H12F2O2S/c15-10-4-1-6-12(14(10)16)18-8-2-5-11(17)13-7-3-9-19-13/h1,3-4,6-7,9H,2,5,8H2
InChIKeyJVJHJOAWMPYYIZ-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.07
Rot. Bonds6

About 4-(2,3-difluorophenoxy)-1-thiophen-2-ylbutan-1-one

4-(2,3-difluorophenoxy)-1-thiophen-2-ylbutan-1-one (PubChem CID 63038347) has the molecular formula C14H12F2O2S and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-(2,3-difluorophenoxy)-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-(2,3-difluorophenoxy)-1-thiophen-2-ylbutan-1-one
PubChem CID63038347
Molecular FormulaC14H12F2O2S
Molecular Weight282.31 g/mol
Exact Mass282.05
IUPAC Name4-(2,3-difluorophenoxy)-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCOc1cccc(F)c1F)c1cccs1
InChIInChI=1S/C14H12F2O2S/c15-10-4-1-6-12(14(10)16)18-8-2-5-11(17)13-7-3-9-19-13/h1,3-4,6-7,9H,2,5,8H2
InChIKeyJVJHJOAWMPYYIZ-UHFFFAOYSA-N
XLogP4.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-fluoro-3-methylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 107659455
4-(2,3-dichlorophenoxy)-1-thiophen-2-ylbutan-1-one
CID 60656845
4-(2-chlorophenoxy)-1-thiophen-2-ylbutan-1-one
CID 62030266
3-fluoro-4-(4-oxo-4-thiophen-2-ylbutoxy)benzonitrile
CID 107666584
1-thiophen-2-yl-4-(2,4,5-trichlorophenoxy)butan-1-one
CID 60625178
4-phenoxy-1-thiophen-2-ylbutan-1-one
CID 43793631
4-(2,4-dimethylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43793557
4-(2,3-difluorophenoxy)butanehydrazide
CID 63568959
4-amino-1-thiophen-2-ylbutan-1-one
CID 55267003
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one
CID 104563857
4-(4-propoxyphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43793680
2-fluoro-6-(2-oxo-2-thiophen-2-ylethoxy)benzamide
CID 62034000

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenoxy)-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-(2,3-difluorophenoxy)-1-thiophen-2-ylbutan-1-one (CID 63038347) is 4-(2,3-difluorophenoxy)-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-(2,3-difluorophenoxy)-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-(2,3-difluorophenoxy)-1-thiophen-2-ylbutan-1-one is O=C(CCCOc1cccc(F)c1F)c1cccs1.
What is the InChIKey of 4-(2,3-difluorophenoxy)-1-thiophen-2-ylbutan-1-one?
The InChIKey is JVJHJOAWMPYYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O2S/c15-10-4-1-6-12(14(10)16)18-8-2-5-11(17)13-7-3-9-19-13/h1,3-4,6-7,9H,2,5,8H2.
What are the key properties of 4-(2,3-difluorophenoxy)-1-thiophen-2-ylbutan-1-one?
4-(2,3-difluorophenoxy)-1-thiophen-2-ylbutan-1-one has a molecular weight of 282.31 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenoxy)-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 63038347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).