2-(1-fluoroprop-2-enylsulfanyl)-3-methyloxirane

C6H9FOS — CID 88625508

IUPAC2-(1-fluoroprop-2-enylsulfanyl)-3-methyloxirane
SMILESC=CC(F)SC1OC1C
InChIInChI=1S/C6H9FOS/c1-3-5(7)9-6-4(2)8-6/h3-6H,1H2,2H3
InChIKeyALNBIWUQKUGWRB-UHFFFAOYSA-N
MW148.20 g/mol
LogP1.95
Rot. Bonds3

About 2-(1-fluoroprop-2-enylsulfanyl)-3-methyloxirane

2-(1-fluoroprop-2-enylsulfanyl)-3-methyloxirane (PubChem CID 88625508) has the molecular formula C6H9FOS and a molecular weight of 148.20 g/mol. Its IUPAC name is 2-(1-fluoroprop-2-enylsulfanyl)-3-methyloxirane.

Molecular Properties

Compound Name2-(1-fluoroprop-2-enylsulfanyl)-3-methyloxirane
PubChem CID88625508
Molecular FormulaC6H9FOS
Molecular Weight148.20 g/mol
Exact Mass148.04
IUPAC Name2-(1-fluoroprop-2-enylsulfanyl)-3-methyloxirane
SMILESC=CC(F)SC1OC1C
InChIInChI=1S/C6H9FOS/c1-3-5(7)9-6-4(2)8-6/h3-6H,1H2,2H3
InChIKeyALNBIWUQKUGWRB-UHFFFAOYSA-N
XLogP1.95
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroprop-2-enylsulfanyl)-3-methyloxirane?
The IUPAC name of 2-(1-fluoroprop-2-enylsulfanyl)-3-methyloxirane (CID 88625508) is 2-(1-fluoroprop-2-enylsulfanyl)-3-methyloxirane.
What is the SMILES notation for 2-(1-fluoroprop-2-enylsulfanyl)-3-methyloxirane?
The canonical SMILES for 2-(1-fluoroprop-2-enylsulfanyl)-3-methyloxirane is C=CC(F)SC1OC1C.
What is the InChIKey of 2-(1-fluoroprop-2-enylsulfanyl)-3-methyloxirane?
The InChIKey is ALNBIWUQKUGWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FOS/c1-3-5(7)9-6-4(2)8-6/h3-6H,1H2,2H3.
What are the key properties of 2-(1-fluoroprop-2-enylsulfanyl)-3-methyloxirane?
2-(1-fluoroprop-2-enylsulfanyl)-3-methyloxirane has a molecular weight of 148.20 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroprop-2-enylsulfanyl)-3-methyloxirane is sourced from PubChem (CID 88625508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).