2-(5-fluoro-2-methylphenyl)-1-thiophen-3-ylethanone

C13H11FOS — CID 105373155

IUPAC2-(5-fluoro-2-methylphenyl)-1-thiophen-3-ylethanone
SMILESCc1ccc(F)cc1CC(=O)c1ccsc1
InChIInChI=1S/C13H11FOS/c1-9-2-3-12(14)6-11(9)7-13(15)10-4-5-16-8-10/h2-6,8H,7H2,1H3
InChIKeyXUZGZWIMFQFHCM-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.62
Rot. Bonds3

About 2-(5-fluoro-2-methylphenyl)-1-thiophen-3-ylethanone

2-(5-fluoro-2-methylphenyl)-1-thiophen-3-ylethanone (PubChem CID 105373155) has the molecular formula C13H11FOS and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-1-thiophen-3-ylethanone.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-1-thiophen-3-ylethanone
PubChem CID105373155
Molecular FormulaC13H11FOS
Molecular Weight234.30 g/mol
Exact Mass234.05
IUPAC Name2-(5-fluoro-2-methylphenyl)-1-thiophen-3-ylethanone
SMILESCc1ccc(F)cc1CC(=O)c1ccsc1
InChIInChI=1S/C13H11FOS/c1-9-2-3-12(14)6-11(9)7-13(15)10-4-5-16-8-10/h2-6,8H,7H2,1H3
InChIKeyXUZGZWIMFQFHCM-UHFFFAOYSA-N
XLogP3.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373157
1-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373145
1-(4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373147
2-(5-fluoro-2-methylphenyl)-1-pyridin-4-ylethanone
CID 105373154
1-(3-bromo-4-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376772
2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone
CID 54958156
2-(2-fluorophenyl)-1-thiophen-3-ylethanone
CID 60799392
1-(2-bromo-5-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376889
2-(5-fluoro-2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 105373149
(4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethanone
CID 106876967
2-(5-fluoro-2-methylphenyl)-1-(2-fluorophenyl)ethanone
CID 105373215
[4-methoxy-5-methyl-2-(2-oxo-2-thiophen-3-ylethyl)phenyl]carbamic acid
CID 67772583

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-thiophen-3-ylethanone?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-thiophen-3-ylethanone (CID 105373155) is 2-(5-fluoro-2-methylphenyl)-1-thiophen-3-ylethanone.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-1-thiophen-3-ylethanone?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-1-thiophen-3-ylethanone is Cc1ccc(F)cc1CC(=O)c1ccsc1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-1-thiophen-3-ylethanone?
The InChIKey is XUZGZWIMFQFHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FOS/c1-9-2-3-12(14)6-11(9)7-13(15)10-4-5-16-8-10/h2-6,8H,7H2,1H3.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-1-thiophen-3-ylethanone?
2-(5-fluoro-2-methylphenyl)-1-thiophen-3-ylethanone has a molecular weight of 234.30 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-1-thiophen-3-ylethanone is sourced from PubChem (CID 105373155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).