2-(4-fluorooct-1-en-3-yloxy)oxane

C13H23FO2 — CID 173439621

IUPAC2-(4-fluorooct-1-en-3-yloxy)oxane
SMILESC=CC(OC1CCCCO1)C(F)CCCC
InChIInChI=1S/C13H23FO2/c1-3-5-8-11(14)12(4-2)16-13-9-6-7-10-15-13/h4,11-13H,2-3,5-10H2,1H3
InChIKeyZKZLOKSWIUKCOL-UHFFFAOYSA-N
MW230.32 g/mol
LogP3.61
Rot. Bonds7

About 2-(4-fluorooct-1-en-3-yloxy)oxane

2-(4-fluorooct-1-en-3-yloxy)oxane (PubChem CID 173439621) has the molecular formula C13H23FO2 and a molecular weight of 230.32 g/mol. Its IUPAC name is 2-(4-fluorooct-1-en-3-yloxy)oxane.

Molecular Properties

Compound Name2-(4-fluorooct-1-en-3-yloxy)oxane
PubChem CID173439621
Molecular FormulaC13H23FO2
Molecular Weight230.32 g/mol
Exact Mass230.17
IUPAC Name2-(4-fluorooct-1-en-3-yloxy)oxane
SMILESC=CC(OC1CCCCO1)C(F)CCCC
InChIInChI=1S/C13H23FO2/c1-3-5-8-11(14)12(4-2)16-13-9-6-7-10-15-13/h4,11-13H,2-3,5-10H2,1H3
InChIKeyZKZLOKSWIUKCOL-UHFFFAOYSA-N
XLogP3.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(4-fluorooct-1-en-3-yloxy)oxane?
The IUPAC name of 2-(4-fluorooct-1-en-3-yloxy)oxane (CID 173439621) is 2-(4-fluorooct-1-en-3-yloxy)oxane.
What is the SMILES notation for 2-(4-fluorooct-1-en-3-yloxy)oxane?
The canonical SMILES for 2-(4-fluorooct-1-en-3-yloxy)oxane is C=CC(OC1CCCCO1)C(F)CCCC.
What is the InChIKey of 2-(4-fluorooct-1-en-3-yloxy)oxane?
The InChIKey is ZKZLOKSWIUKCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FO2/c1-3-5-8-11(14)12(4-2)16-13-9-6-7-10-15-13/h4,11-13H,2-3,5-10H2,1H3.
What are the key properties of 2-(4-fluorooct-1-en-3-yloxy)oxane?
2-(4-fluorooct-1-en-3-yloxy)oxane has a molecular weight of 230.32 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorooct-1-en-3-yloxy)oxane is sourced from PubChem (CID 173439621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).