3-(4-amino-2-fluorophenyl)sulfanyloxolan-2-one

C10H10FNO2S — CID 43303793

IUPAC3-(4-amino-2-fluorophenyl)sulfanyloxolan-2-one
SMILESNc1ccc(SC2CCOC2=O)c(F)c1
InChIInChI=1S/C10H10FNO2S/c11-7-5-6(12)1-2-8(7)15-9-3-4-14-10(9)13/h1-2,5,9H,3-4,12H2
InChIKeyFUHAJQBIWIYAGG-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.82
Rot. Bonds2

About 3-(4-amino-2-fluorophenyl)sulfanyloxolan-2-one

3-(4-amino-2-fluorophenyl)sulfanyloxolan-2-one (PubChem CID 43303793) has the molecular formula C10H10FNO2S and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-(4-amino-2-fluorophenyl)sulfanyloxolan-2-one.

Molecular Properties

Compound Name3-(4-amino-2-fluorophenyl)sulfanyloxolan-2-one
PubChem CID43303793
Molecular FormulaC10H10FNO2S
Molecular Weight227.26 g/mol
Exact Mass227.04
IUPAC Name3-(4-amino-2-fluorophenyl)sulfanyloxolan-2-one
SMILESNc1ccc(SC2CCOC2=O)c(F)c1
InChIInChI=1S/C10H10FNO2S/c11-7-5-6(12)1-2-8(7)15-9-3-4-14-10(9)13/h1-2,5,9H,3-4,12H2
InChIKeyFUHAJQBIWIYAGG-UHFFFAOYSA-N
XLogP1.82
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-Aminophenylthio)acetic acid
CID 66907
Methyl 3-((4-aminophenyl)sulfanyl)propanoate
CID 14790237
2-(4-Amino-2-fluorophenyl)sulfanylacetic acid
CID 61320082
Methyl 3-[(3-aminophenyl)sulfanyl]propanoate
CID 60877671
N-[4-(2-oxooxolan-3-yl)sulfanylphenyl]acetamide
CID 4223254
Methyl 2-(4-amino-2-fluorophenyl)sulfanylacetate
CID 43303820
Ethyl 2-(6-amino-2,3-difluorophenyl)sulfanylacetate
CID 62531329
2-Fluoro-5-(2-methoxycarbonylethylthio)aniline
CID 68513968
3-(4-Amino-3-fluorophenyl)sulfanyloxolan-2-one
CID 79141901
Ethyl 2-(4-aminophenyl)sulfanyl-2,2-difluoroacetate
CID 89563373
Ethyl 3-(3-amino-2,6-difluorophenyl)sulfanylpropanoate
CID 135248787
Ethyl 2-(5-amino-2,4-difluorophenyl)sulfanyl-3-methylbutanoate
CID 139689421

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-fluorophenyl)sulfanyloxolan-2-one?
The IUPAC name of 3-(4-amino-2-fluorophenyl)sulfanyloxolan-2-one (CID 43303793) is 3-(4-amino-2-fluorophenyl)sulfanyloxolan-2-one.
What is the SMILES notation for 3-(4-amino-2-fluorophenyl)sulfanyloxolan-2-one?
The canonical SMILES for 3-(4-amino-2-fluorophenyl)sulfanyloxolan-2-one is Nc1ccc(SC2CCOC2=O)c(F)c1.
What is the InChIKey of 3-(4-amino-2-fluorophenyl)sulfanyloxolan-2-one?
The InChIKey is FUHAJQBIWIYAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2S/c11-7-5-6(12)1-2-8(7)15-9-3-4-14-10(9)13/h1-2,5,9H,3-4,12H2.
What are the key properties of 3-(4-amino-2-fluorophenyl)sulfanyloxolan-2-one?
3-(4-amino-2-fluorophenyl)sulfanyloxolan-2-one has a molecular weight of 227.26 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-fluorophenyl)sulfanyloxolan-2-one is sourced from PubChem (CID 43303793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).