1-(2-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone

C13H15FO2S — CID 107752371

IUPAC1-(2-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone
SMILESCC1OCCC1SCC(=O)c1ccccc1F
InChIInChI=1S/C13H15FO2S/c1-9-13(6-7-16-9)17-8-12(15)10-4-2-3-5-11(10)14/h2-5,9,13H,6-8H2,1H3
InChIKeyKULKNKIRVUEGIT-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.92
Rot. Bonds4

About 1-(2-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone

1-(2-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone (PubChem CID 107752371) has the molecular formula C13H15FO2S and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone
PubChem CID107752371
Molecular FormulaC13H15FO2S
Molecular Weight254.33 g/mol
Exact Mass254.08
IUPAC Name1-(2-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone
SMILESCC1OCCC1SCC(=O)c1ccccc1F
InChIInChI=1S/C13H15FO2S/c1-9-13(6-7-16-9)17-8-12(15)10-4-2-3-5-11(10)14/h2-5,9,13H,6-8H2,1H3
InChIKeyKULKNKIRVUEGIT-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone
CID 107752436
N-(2-fluorophenyl)-2-[(2R,3R)-2-methyloxolan-3-yl]sulfanylacetamide
CID 97326710
1-(3-chloro-4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone
CID 107752386
2-[(2-methyloxolan-3-yl)sulfanylmethyl]-1-benzofuran-3-carboxylic acid
CID 107746132
4-(2-methyloxolan-3-yl)sulfanyl-1-thiophen-2-ylbutan-1-one
CID 103847347
3-[(2-methyloxolan-3-yl)sulfanylmethyl]benzoic acid
CID 107746125
2-(azetidin-2-yl)-1-(2-fluorophenyl)ethanone
CID 84664669
1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 2422526
1-(2-fluorophenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 5149362
N-[3-(2-methyloxolan-3-yl)sulfanylpropyl]aniline
CID 107756872
1-(2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 66393870
1-(2-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-one
CID 62619030

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone?
The IUPAC name of 1-(2-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone (CID 107752371) is 1-(2-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone?
The canonical SMILES for 1-(2-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone is CC1OCCC1SCC(=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone?
The InChIKey is KULKNKIRVUEGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2S/c1-9-13(6-7-16-9)17-8-12(15)10-4-2-3-5-11(10)14/h2-5,9,13H,6-8H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone?
1-(2-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone has a molecular weight of 254.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone is sourced from PubChem (CID 107752371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).