4-fluoro-4-(fluoromethyl)-1,3-dioxolan-2-one

C4H4F2O3 — CID 67043019

IUPAC4-fluoro-4-(fluoromethyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(F)(CF)O1
InChIInChI=1S/C4H4F2O3/c5-1-4(6)2-8-3(7)9-4/h1-2H2
InChIKeyJWCPAXGJZONERL-UHFFFAOYSA-N
MW138.07 g/mol
LogP0.79
Rot. Bonds1

About 4-fluoro-4-(fluoromethyl)-1,3-dioxolan-2-one

4-fluoro-4-(fluoromethyl)-1,3-dioxolan-2-one (PubChem CID 67043019) has the molecular formula C4H4F2O3 and a molecular weight of 138.07 g/mol. Its IUPAC name is 4-fluoro-4-(fluoromethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-fluoro-4-(fluoromethyl)-1,3-dioxolan-2-one
PubChem CID67043019
Molecular FormulaC4H4F2O3
Molecular Weight138.07 g/mol
Exact Mass138.01
IUPAC Name4-fluoro-4-(fluoromethyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(F)(CF)O1
InChIInChI=1S/C4H4F2O3/c5-1-4(6)2-8-3(7)9-4/h1-2H2
InChIKeyJWCPAXGJZONERL-UHFFFAOYSA-N
XLogP0.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.07
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(fluoromethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-fluoro-4-(fluoromethyl)-1,3-dioxolan-2-one (CID 67043019) is 4-fluoro-4-(fluoromethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-fluoro-4-(fluoromethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-fluoro-4-(fluoromethyl)-1,3-dioxolan-2-one is O=C1OCC(F)(CF)O1.
What is the InChIKey of 4-fluoro-4-(fluoromethyl)-1,3-dioxolan-2-one?
The InChIKey is JWCPAXGJZONERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2O3/c5-1-4(6)2-8-3(7)9-4/h1-2H2.
What are the key properties of 4-fluoro-4-(fluoromethyl)-1,3-dioxolan-2-one?
4-fluoro-4-(fluoromethyl)-1,3-dioxolan-2-one has a molecular weight of 138.07 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(fluoromethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 67043019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).