2-(5-fluoro-2-methylphenyl)-1-(thiolan-2-yl)ethanone

C13H15FOS — CID 105373334

IUPAC2-(5-fluoro-2-methylphenyl)-1-(thiolan-2-yl)ethanone
SMILESCc1ccc(F)cc1CC(=O)C1CCCS1
InChIInChI=1S/C13H15FOS/c1-9-4-5-11(14)7-10(9)8-12(15)13-3-2-6-16-13/h4-5,7,13H,2-3,6,8H2,1H3
InChIKeyCBDWDERWEZFNCK-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.14
Rot. Bonds3

About 2-(5-fluoro-2-methylphenyl)-1-(thiolan-2-yl)ethanone

2-(5-fluoro-2-methylphenyl)-1-(thiolan-2-yl)ethanone (PubChem CID 105373334) has the molecular formula C13H15FOS and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-1-(thiolan-2-yl)ethanone.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-1-(thiolan-2-yl)ethanone
PubChem CID105373334
Molecular FormulaC13H15FOS
Molecular Weight238.33 g/mol
Exact Mass238.08
IUPAC Name2-(5-fluoro-2-methylphenyl)-1-(thiolan-2-yl)ethanone
SMILESCc1ccc(F)cc1CC(=O)C1CCCS1
InChIInChI=1S/C13H15FOS/c1-9-4-5-11(14)7-10(9)8-12(15)13-3-2-6-16-13/h4-5,7,13H,2-3,6,8H2,1H3
InChIKeyCBDWDERWEZFNCK-UHFFFAOYSA-N
XLogP3.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-methylphenyl)-1-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)ethanone
CID 171948152
1-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376737
2-(2-fluoro-3-methoxyphenyl)-1-(thian-2-yl)ethanone
CID 113453748
2-(2,6-difluorophenyl)-1-(thiolan-2-yl)ethanone
CID 114931412
2-(3,5-difluorophenyl)-1-(thian-2-yl)ethanone
CID 105405431
2-(2-bromo-5-methoxyphenyl)-1-(thiolan-2-yl)ethanone
CID 80621821
2-(2,4-dichlorophenyl)-1-(thiolan-2-yl)ethanone
CID 80621705
1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-one
CID 105376845
2-(5-fluoro-2-methylphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 105373360
2-(4-ethylphenyl)-1-(thian-2-yl)ethanone
CID 80621728
2-(3,4-difluorophenyl)-1-(thian-2-yl)ethanone
CID 82920407
2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanone
CID 80622050

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(thiolan-2-yl)ethanone?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(thiolan-2-yl)ethanone (CID 105373334) is 2-(5-fluoro-2-methylphenyl)-1-(thiolan-2-yl)ethanone.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-1-(thiolan-2-yl)ethanone?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-1-(thiolan-2-yl)ethanone is Cc1ccc(F)cc1CC(=O)C1CCCS1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-1-(thiolan-2-yl)ethanone?
The InChIKey is CBDWDERWEZFNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FOS/c1-9-4-5-11(14)7-10(9)8-12(15)13-3-2-6-16-13/h4-5,7,13H,2-3,6,8H2,1H3.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-1-(thiolan-2-yl)ethanone?
2-(5-fluoro-2-methylphenyl)-1-(thiolan-2-yl)ethanone has a molecular weight of 238.33 g/mol, XLogP of 3.14, 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-(thiolan-2-yl)ethanone is sourced from PubChem (CID 105373334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).