5-ethyl-6-(1-fluoroethyl)-7-oxabicyclo[2.2.1]hept-2-ene

C10H15FO — CID 174163163

IUPAC5-ethyl-6-(1-fluoroethyl)-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCCC1C2C=CC(O2)C1C(C)F
InChIInChI=1S/C10H15FO/c1-3-7-8-4-5-9(12-8)10(7)6(2)11/h4-10H,3H2,1-2H3
InChIKeyHFZZGZYVVWHQLA-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.32
Rot. Bonds2

About 5-ethyl-6-(1-fluoroethyl)-7-oxabicyclo[2.2.1]hept-2-ene

5-ethyl-6-(1-fluoroethyl)-7-oxabicyclo[2.2.1]hept-2-ene (PubChem CID 174163163) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is 5-ethyl-6-(1-fluoroethyl)-7-oxabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-ethyl-6-(1-fluoroethyl)-7-oxabicyclo[2.2.1]hept-2-ene
PubChem CID174163163
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name5-ethyl-6-(1-fluoroethyl)-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCCC1C2C=CC(O2)C1C(C)F
InChIInChI=1S/C10H15FO/c1-3-7-8-4-5-9(12-8)10(7)6(2)11/h4-10H,3H2,1-2H3
InChIKeyHFZZGZYVVWHQLA-UHFFFAOYSA-N
XLogP2.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(1-fluoroethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-ethyl-6-(1-fluoroethyl)-7-oxabicyclo[2.2.1]hept-2-ene (CID 174163163) is 5-ethyl-6-(1-fluoroethyl)-7-oxabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-ethyl-6-(1-fluoroethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-ethyl-6-(1-fluoroethyl)-7-oxabicyclo[2.2.1]hept-2-ene is CCC1C2C=CC(O2)C1C(C)F.
What is the InChIKey of 5-ethyl-6-(1-fluoroethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The InChIKey is HFZZGZYVVWHQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO/c1-3-7-8-4-5-9(12-8)10(7)6(2)11/h4-10H,3H2,1-2H3.
What are the key properties of 5-ethyl-6-(1-fluoroethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
5-ethyl-6-(1-fluoroethyl)-7-oxabicyclo[2.2.1]hept-2-ene has a molecular weight of 170.23 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(1-fluoroethyl)-7-oxabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 174163163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).