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

C6H7FO3 — CID 175157755

IUPAC4-fluoro-5-prop-2-enyl-1,3-dioxolan-2-one
SMILESC=CCC1OC(=O)OC1F
InChIInChI=1S/C6H7FO3/c1-2-3-4-5(7)10-6(8)9-4/h2,4-5H,1,3H2
InChIKeyJLFGZDTWWWWBRV-UHFFFAOYSA-N
MW146.12 g/mol
LogP1.39
Rot. Bonds2

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

4-fluoro-5-prop-2-enyl-1,3-dioxolan-2-one (PubChem CID 175157755) has the molecular formula C6H7FO3 and a molecular weight of 146.12 g/mol. Its IUPAC name is 4-fluoro-5-prop-2-enyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-fluoro-5-prop-2-enyl-1,3-dioxolan-2-one
PubChem CID175157755
Molecular FormulaC6H7FO3
Molecular Weight146.12 g/mol
Exact Mass146.04
IUPAC Name4-fluoro-5-prop-2-enyl-1,3-dioxolan-2-one
SMILESC=CCC1OC(=O)OC1F
InChIInChI=1S/C6H7FO3/c1-2-3-4-5(7)10-6(8)9-4/h2,4-5H,1,3H2
InChIKeyJLFGZDTWWWWBRV-UHFFFAOYSA-N
XLogP1.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.12
LogP ≤ 51.39
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-5-prop-2-enyl-1,3-dioxolan-2-one?
The IUPAC name of 4-fluoro-5-prop-2-enyl-1,3-dioxolan-2-one (CID 175157755) is 4-fluoro-5-prop-2-enyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-fluoro-5-prop-2-enyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-fluoro-5-prop-2-enyl-1,3-dioxolan-2-one is C=CCC1OC(=O)OC1F.
What is the InChIKey of 4-fluoro-5-prop-2-enyl-1,3-dioxolan-2-one?
The InChIKey is JLFGZDTWWWWBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FO3/c1-2-3-4-5(7)10-6(8)9-4/h2,4-5H,1,3H2.
What are the key properties of 4-fluoro-5-prop-2-enyl-1,3-dioxolan-2-one?
4-fluoro-5-prop-2-enyl-1,3-dioxolan-2-one has a molecular weight of 146.12 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-prop-2-enyl-1,3-dioxolan-2-one is sourced from PubChem (CID 175157755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).