2-fluoro-3-(prop-2-enylsulfanylmethyl)oxirane

C6H9FOS — CID 88625506

IUPAC2-fluoro-3-(prop-2-enylsulfanylmethyl)oxirane
SMILESC=CCSCC1OC1F
InChIInChI=1S/C6H9FOS/c1-2-3-9-4-5-6(7)8-5/h2,5-6H,1,3-4H2
InChIKeyDZYDNCHREKXYQF-UHFFFAOYSA-N
MW148.20 g/mol
LogP1.60
Rot. Bonds4

About 2-fluoro-3-(prop-2-enylsulfanylmethyl)oxirane

2-fluoro-3-(prop-2-enylsulfanylmethyl)oxirane (PubChem CID 88625506) has the molecular formula C6H9FOS and a molecular weight of 148.20 g/mol. Its IUPAC name is 2-fluoro-3-(prop-2-enylsulfanylmethyl)oxirane.

Molecular Properties

Compound Name2-fluoro-3-(prop-2-enylsulfanylmethyl)oxirane
PubChem CID88625506
Molecular FormulaC6H9FOS
Molecular Weight148.20 g/mol
Exact Mass148.04
IUPAC Name2-fluoro-3-(prop-2-enylsulfanylmethyl)oxirane
SMILESC=CCSCC1OC1F
InChIInChI=1S/C6H9FOS/c1-2-3-9-4-5-6(7)8-5/h2,5-6H,1,3-4H2
InChIKeyDZYDNCHREKXYQF-UHFFFAOYSA-N
XLogP1.60
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-fluoro-3-(prop-2-enylsulfanylmethyl)oxirane?
The IUPAC name of 2-fluoro-3-(prop-2-enylsulfanylmethyl)oxirane (CID 88625506) is 2-fluoro-3-(prop-2-enylsulfanylmethyl)oxirane.
What is the SMILES notation for 2-fluoro-3-(prop-2-enylsulfanylmethyl)oxirane?
The canonical SMILES for 2-fluoro-3-(prop-2-enylsulfanylmethyl)oxirane is C=CCSCC1OC1F.
What is the InChIKey of 2-fluoro-3-(prop-2-enylsulfanylmethyl)oxirane?
The InChIKey is DZYDNCHREKXYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FOS/c1-2-3-9-4-5-6(7)8-5/h2,5-6H,1,3-4H2.
What are the key properties of 2-fluoro-3-(prop-2-enylsulfanylmethyl)oxirane?
2-fluoro-3-(prop-2-enylsulfanylmethyl)oxirane has a molecular weight of 148.20 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(prop-2-enylsulfanylmethyl)oxirane is sourced from PubChem (CID 88625506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).