3-fluoro-4-prop-1-en-2-yloxane

C8H13FO — CID 147939897

IUPAC3-fluoro-4-prop-1-en-2-yloxane
SMILESC=C(C)C1CCOCC1F
InChIInChI=1S/C8H13FO/c1-6(2)7-3-4-10-5-8(7)9/h7-8H,1,3-5H2,2H3
InChIKeyILNKQRYNCJKNAD-UHFFFAOYSA-N
MW144.19 g/mol
LogP1.94
Rot. Bonds1

About 3-fluoro-4-prop-1-en-2-yloxane

3-fluoro-4-prop-1-en-2-yloxane (PubChem CID 147939897) has the molecular formula C8H13FO and a molecular weight of 144.19 g/mol. Its IUPAC name is 3-fluoro-4-prop-1-en-2-yloxane.

Molecular Properties

Compound Name3-fluoro-4-prop-1-en-2-yloxane
PubChem CID147939897
Molecular FormulaC8H13FO
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name3-fluoro-4-prop-1-en-2-yloxane
SMILESC=C(C)C1CCOCC1F
InChIInChI=1S/C8H13FO/c1-6(2)7-3-4-10-5-8(7)9/h7-8H,1,3-5H2,2H3
InChIKeyILNKQRYNCJKNAD-UHFFFAOYSA-N
XLogP1.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-fluoro-4-prop-1-en-2-yloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-prop-1-en-2-yloxane?
The IUPAC name of 3-fluoro-4-prop-1-en-2-yloxane (CID 147939897) is 3-fluoro-4-prop-1-en-2-yloxane.
What is the SMILES notation for 3-fluoro-4-prop-1-en-2-yloxane?
The canonical SMILES for 3-fluoro-4-prop-1-en-2-yloxane is C=C(C)C1CCOCC1F.
What is the InChIKey of 3-fluoro-4-prop-1-en-2-yloxane?
The InChIKey is ILNKQRYNCJKNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO/c1-6(2)7-3-4-10-5-8(7)9/h7-8H,1,3-5H2,2H3.
What are the key properties of 3-fluoro-4-prop-1-en-2-yloxane?
3-fluoro-4-prop-1-en-2-yloxane has a molecular weight of 144.19 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-prop-1-en-2-yloxane is sourced from PubChem (CID 147939897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).