2-butyl-2-fluorooxirane

C6H11FO — CID 19099046

IUPAC2-butyl-2-fluorooxirane
SMILESCCCCC1(F)CO1
InChIInChI=1S/C6H11FO/c1-2-3-4-6(7)5-8-6/h2-5H2,1H3
InChIKeyRAPYRDCIYQMSAO-UHFFFAOYSA-N
MW118.15 g/mol
LogP1.87
Rot. Bonds3

About 2-butyl-2-fluorooxirane

2-butyl-2-fluorooxirane (PubChem CID 19099046) has the molecular formula C6H11FO and a molecular weight of 118.15 g/mol. Its IUPAC name is 2-butyl-2-fluorooxirane.

Molecular Properties

Compound Name2-butyl-2-fluorooxirane
PubChem CID19099046
Molecular FormulaC6H11FO
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Name2-butyl-2-fluorooxirane
SMILESCCCCC1(F)CO1
InChIInChI=1S/C6H11FO/c1-2-3-4-6(7)5-8-6/h2-5H2,1H3
InChIKeyRAPYRDCIYQMSAO-UHFFFAOYSA-N
XLogP1.87
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 51.87
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-butyl-2-fluorooxirane?
The IUPAC name of 2-butyl-2-fluorooxirane (CID 19099046) is 2-butyl-2-fluorooxirane.
What is the SMILES notation for 2-butyl-2-fluorooxirane?
The canonical SMILES for 2-butyl-2-fluorooxirane is CCCCC1(F)CO1.
What is the InChIKey of 2-butyl-2-fluorooxirane?
The InChIKey is RAPYRDCIYQMSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO/c1-2-3-4-6(7)5-8-6/h2-5H2,1H3.
What are the key properties of 2-butyl-2-fluorooxirane?
2-butyl-2-fluorooxirane has a molecular weight of 118.15 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-fluorooxirane is sourced from PubChem (CID 19099046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).