4-fluoro-4,5-bis(prop-2-enyl)-1,3-dioxolan-2-one

C9H11FO3 — CID 166999719

IUPAC4-fluoro-4,5-bis(prop-2-enyl)-1,3-dioxolan-2-one
SMILESC=CCC1OC(=O)OC1(F)CC=C
InChIInChI=1S/C9H11FO3/c1-3-5-7-9(10,6-4-2)13-8(11)12-7/h3-4,7H,1-2,5-6H2
InChIKeyJZDRKVTVFMIERZ-UHFFFAOYSA-N
MW186.18 g/mol
LogP2.34
Rot. Bonds4

About 4-fluoro-4,5-bis(prop-2-enyl)-1,3-dioxolan-2-one

4-fluoro-4,5-bis(prop-2-enyl)-1,3-dioxolan-2-one (PubChem CID 166999719) has the molecular formula C9H11FO3 and a molecular weight of 186.18 g/mol. Its IUPAC name is 4-fluoro-4,5-bis(prop-2-enyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-fluoro-4,5-bis(prop-2-enyl)-1,3-dioxolan-2-one
PubChem CID166999719
Molecular FormulaC9H11FO3
Molecular Weight186.18 g/mol
Exact Mass186.07
IUPAC Name4-fluoro-4,5-bis(prop-2-enyl)-1,3-dioxolan-2-one
SMILESC=CCC1OC(=O)OC1(F)CC=C
InChIInChI=1S/C9H11FO3/c1-3-5-7-9(10,6-4-2)13-8(11)12-7/h3-4,7H,1-2,5-6H2
InChIKeyJZDRKVTVFMIERZ-UHFFFAOYSA-N
XLogP2.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-fluoro-4,5-bis(prop-2-enyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-fluoro-4,5-bis(prop-2-enyl)-1,3-dioxolan-2-one (CID 166999719) is 4-fluoro-4,5-bis(prop-2-enyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-fluoro-4,5-bis(prop-2-enyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-fluoro-4,5-bis(prop-2-enyl)-1,3-dioxolan-2-one is C=CCC1OC(=O)OC1(F)CC=C.
What is the InChIKey of 4-fluoro-4,5-bis(prop-2-enyl)-1,3-dioxolan-2-one?
The InChIKey is JZDRKVTVFMIERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO3/c1-3-5-7-9(10,6-4-2)13-8(11)12-7/h3-4,7H,1-2,5-6H2.
What are the key properties of 4-fluoro-4,5-bis(prop-2-enyl)-1,3-dioxolan-2-one?
4-fluoro-4,5-bis(prop-2-enyl)-1,3-dioxolan-2-one has a molecular weight of 186.18 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4,5-bis(prop-2-enyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 166999719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).