2-(1-fluoroprop-2-enyl)oxirane

C5H7FO — CID 87166229

IUPAC2-(1-fluoroprop-2-enyl)oxirane
SMILESC=CC(F)C1CO1
InChIInChI=1S/C5H7FO/c1-2-4(6)5-3-7-5/h2,4-5H,1,3H2
InChIKeyAOPNTGKYDRLBGQ-UHFFFAOYSA-N
MW102.11 g/mol
LogP0.91
Rot. Bonds2

About 2-(1-fluoroprop-2-enyl)oxirane

2-(1-fluoroprop-2-enyl)oxirane (PubChem CID 87166229) has the molecular formula C5H7FO and a molecular weight of 102.11 g/mol. Its IUPAC name is 2-(1-fluoroprop-2-enyl)oxirane.

Molecular Properties

Compound Name2-(1-fluoroprop-2-enyl)oxirane
PubChem CID87166229
Molecular FormulaC5H7FO
Molecular Weight102.11 g/mol
Exact Mass102.05
IUPAC Name2-(1-fluoroprop-2-enyl)oxirane
SMILESC=CC(F)C1CO1
InChIInChI=1S/C5H7FO/c1-2-4(6)5-3-7-5/h2,4-5H,1,3H2
InChIKeyAOPNTGKYDRLBGQ-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-enyl)oxirane?
The IUPAC name of 2-(1-fluoroprop-2-enyl)oxirane (CID 87166229) is 2-(1-fluoroprop-2-enyl)oxirane.
What is the SMILES notation for 2-(1-fluoroprop-2-enyl)oxirane?
The canonical SMILES for 2-(1-fluoroprop-2-enyl)oxirane is C=CC(F)C1CO1.
What is the InChIKey of 2-(1-fluoroprop-2-enyl)oxirane?
The InChIKey is AOPNTGKYDRLBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO/c1-2-4(6)5-3-7-5/h2,4-5H,1,3H2.
What are the key properties of 2-(1-fluoroprop-2-enyl)oxirane?
2-(1-fluoroprop-2-enyl)oxirane has a molecular weight of 102.11 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroprop-2-enyl)oxirane is sourced from PubChem (CID 87166229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).