1-[5-(2-fluoro-3-methylphenyl)thiophen-2-yl]butan-1-one

C15H15FOS — CID 114254899

IUPAC1-[5-(2-fluoro-3-methylphenyl)thiophen-2-yl]butan-1-one
SMILESCCCC(=O)c1ccc(-c2cccc(C)c2F)s1
InChIInChI=1S/C15H15FOS/c1-3-5-12(17)14-9-8-13(18-14)11-7-4-6-10(2)15(11)16/h4,6-9H,3,5H2,1-2H3
InChIKeyDOCJDIVUZLUAJL-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.85
Rot. Bonds4

About 1-[5-(2-fluoro-3-methylphenyl)thiophen-2-yl]butan-1-one

1-[5-(2-fluoro-3-methylphenyl)thiophen-2-yl]butan-1-one (PubChem CID 114254899) has the molecular formula C15H15FOS and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[5-(2-fluoro-3-methylphenyl)thiophen-2-yl]butan-1-one.

Molecular Properties

Compound Name1-[5-(2-fluoro-3-methylphenyl)thiophen-2-yl]butan-1-one
PubChem CID114254899
Molecular FormulaC15H15FOS
Molecular Weight262.35 g/mol
Exact Mass262.08
IUPAC Name1-[5-(2-fluoro-3-methylphenyl)thiophen-2-yl]butan-1-one
SMILESCCCC(=O)c1ccc(-c2cccc(C)c2F)s1
InChIInChI=1S/C15H15FOS/c1-3-5-12(17)14-9-8-13(18-14)11-7-4-6-10(2)15(11)16/h4,6-9H,3,5H2,1-2H3
InChIKeyDOCJDIVUZLUAJL-UHFFFAOYSA-N
XLogP4.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2,3-difluorophenyl)thiophen-2-yl]butan-1-one
CID 61077202
1-[5-(2,3-difluorophenyl)thiophen-2-yl]propan-1-one
CID 61077384
1-[5-(3-fluorophenyl)thiophen-2-yl]butan-1-one
CID 43154048
1-[5-(2,3,5,6-tetrafluorophenyl)thiophen-2-yl]butan-1-one
CID 107645687
1-[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]butan-1-one
CID 43363456
1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]butan-1-one
CID 81275345
1-[5-(5-chloro-2-fluorophenyl)thiophen-2-yl]propan-1-one
CID 43438621
cyclopropyl-[5-(2,3-dimethylphenyl)thiophen-2-yl]methanone
CID 43154038
1-[5-(4-bromo-2,5-difluorophenyl)thiophen-2-yl]propan-1-one
CID 107615053
ethyl 5-[5-(4-methylphenyl)thiophen-2-yl]-5-oxopentanoate
CID 18472288
2-chloro-1-[5-(2-chlorophenyl)thiophen-2-yl]ethanone
CID 95474216
5-[3-[5-[2-(2,6-difluorophenyl)acetyl]thiophen-2-yl]-2-ethylphenyl]-3-methyl-1,3,4-oxadiazol-2-one
CID 162106420

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluoro-3-methylphenyl)thiophen-2-yl]butan-1-one?
The IUPAC name of 1-[5-(2-fluoro-3-methylphenyl)thiophen-2-yl]butan-1-one (CID 114254899) is 1-[5-(2-fluoro-3-methylphenyl)thiophen-2-yl]butan-1-one.
What is the SMILES notation for 1-[5-(2-fluoro-3-methylphenyl)thiophen-2-yl]butan-1-one?
The canonical SMILES for 1-[5-(2-fluoro-3-methylphenyl)thiophen-2-yl]butan-1-one is CCCC(=O)c1ccc(-c2cccc(C)c2F)s1.
What is the InChIKey of 1-[5-(2-fluoro-3-methylphenyl)thiophen-2-yl]butan-1-one?
The InChIKey is DOCJDIVUZLUAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FOS/c1-3-5-12(17)14-9-8-13(18-14)11-7-4-6-10(2)15(11)16/h4,6-9H,3,5H2,1-2H3.
What are the key properties of 1-[5-(2-fluoro-3-methylphenyl)thiophen-2-yl]butan-1-one?
1-[5-(2-fluoro-3-methylphenyl)thiophen-2-yl]butan-1-one has a molecular weight of 262.35 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluoro-3-methylphenyl)thiophen-2-yl]butan-1-one is sourced from PubChem (CID 114254899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).