2-(3-fluoroprop-2-enyl)oxirane

C5H7FO — CID 173021854

IUPAC2-(3-fluoroprop-2-enyl)oxirane
SMILESFC=CCC1CO1
InChIInChI=1S/C5H7FO/c6-3-1-2-5-4-7-5/h1,3,5H,2,4H2
InChIKeyKHOCWGICHBVIMI-UHFFFAOYSA-N
MW102.11 g/mol
LogP1.26
Rot. Bonds2

About 2-(3-fluoroprop-2-enyl)oxirane

2-(3-fluoroprop-2-enyl)oxirane (PubChem CID 173021854) has the molecular formula C5H7FO and a molecular weight of 102.11 g/mol. Its IUPAC name is 2-(3-fluoroprop-2-enyl)oxirane.

Molecular Properties

Compound Name2-(3-fluoroprop-2-enyl)oxirane
PubChem CID173021854
Molecular FormulaC5H7FO
Molecular Weight102.11 g/mol
Exact Mass102.05
IUPAC Name2-(3-fluoroprop-2-enyl)oxirane
SMILESFC=CCC1CO1
InChIInChI=1S/C5H7FO/c6-3-1-2-5-4-7-5/h1,3,5H,2,4H2
InChIKeyKHOCWGICHBVIMI-UHFFFAOYSA-N
XLogP1.26
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.11
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroprop-2-enyl)oxirane?
The IUPAC name of 2-(3-fluoroprop-2-enyl)oxirane (CID 173021854) is 2-(3-fluoroprop-2-enyl)oxirane.
What is the SMILES notation for 2-(3-fluoroprop-2-enyl)oxirane?
The canonical SMILES for 2-(3-fluoroprop-2-enyl)oxirane is FC=CCC1CO1.
What is the InChIKey of 2-(3-fluoroprop-2-enyl)oxirane?
The InChIKey is KHOCWGICHBVIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO/c6-3-1-2-5-4-7-5/h1,3,5H,2,4H2.
What are the key properties of 2-(3-fluoroprop-2-enyl)oxirane?
2-(3-fluoroprop-2-enyl)oxirane has a molecular weight of 102.11 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroprop-2-enyl)oxirane is sourced from PubChem (CID 173021854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).