4-(4-fluoroheptyl)-5-methylidene-1,3-dioxolan-2-one

C11H17FO3 — CID 129224265

IUPAC4-(4-fluoroheptyl)-5-methylidene-1,3-dioxolan-2-one
SMILESC=C1OC(=O)OC1CCCC(F)CCC
InChIInChI=1S/C11H17FO3/c1-3-5-9(12)6-4-7-10-8(2)14-11(13)15-10/h9-10H,2-7H2,1H3
InChIKeySEKTVGVIISQPPY-UHFFFAOYSA-N
MW216.25 g/mol
LogP3.34
Rot. Bonds6

About 4-(4-fluoroheptyl)-5-methylidene-1,3-dioxolan-2-one

4-(4-fluoroheptyl)-5-methylidene-1,3-dioxolan-2-one (PubChem CID 129224265) has the molecular formula C11H17FO3 and a molecular weight of 216.25 g/mol. Its IUPAC name is 4-(4-fluoroheptyl)-5-methylidene-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(4-fluoroheptyl)-5-methylidene-1,3-dioxolan-2-one
PubChem CID129224265
Molecular FormulaC11H17FO3
Molecular Weight216.25 g/mol
Exact Mass216.12
IUPAC Name4-(4-fluoroheptyl)-5-methylidene-1,3-dioxolan-2-one
SMILESC=C1OC(=O)OC1CCCC(F)CCC
InChIInChI=1S/C11H17FO3/c1-3-5-9(12)6-4-7-10-8(2)14-11(13)15-10/h9-10H,2-7H2,1H3
InChIKeySEKTVGVIISQPPY-UHFFFAOYSA-N
XLogP3.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluoroheptyl)-5-methylidene-1,3-dioxolan-2-one 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 4-(4-fluoroheptyl)-5-methylidene-1,3-dioxolan-2-one?
The IUPAC name of 4-(4-fluoroheptyl)-5-methylidene-1,3-dioxolan-2-one (CID 129224265) is 4-(4-fluoroheptyl)-5-methylidene-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(4-fluoroheptyl)-5-methylidene-1,3-dioxolan-2-one?
The canonical SMILES for 4-(4-fluoroheptyl)-5-methylidene-1,3-dioxolan-2-one is C=C1OC(=O)OC1CCCC(F)CCC.
What is the InChIKey of 4-(4-fluoroheptyl)-5-methylidene-1,3-dioxolan-2-one?
The InChIKey is SEKTVGVIISQPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FO3/c1-3-5-9(12)6-4-7-10-8(2)14-11(13)15-10/h9-10H,2-7H2,1H3.
What are the key properties of 4-(4-fluoroheptyl)-5-methylidene-1,3-dioxolan-2-one?
4-(4-fluoroheptyl)-5-methylidene-1,3-dioxolan-2-one has a molecular weight of 216.25 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoroheptyl)-5-methylidene-1,3-dioxolan-2-one is sourced from PubChem (CID 129224265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).