4-(fluoromethyl)-1,3-dioxol-2-one

C4H3FO3 — CID 66743104

IUPAC4-(fluoromethyl)-1,3-dioxol-2-one
SMILESO=c1occ(CF)o1
InChIInChI=1S/C4H3FO3/c5-1-3-2-7-4(6)8-3/h2H,1H2
InChIKeyQBBPWNDLJSXLJF-UHFFFAOYSA-N
MW118.06 g/mol
LogP0.70
Rot. Bonds1

About 4-(fluoromethyl)-1,3-dioxol-2-one

4-(fluoromethyl)-1,3-dioxol-2-one (PubChem CID 66743104) has the molecular formula C4H3FO3 and a molecular weight of 118.06 g/mol. Its IUPAC name is 4-(fluoromethyl)-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-1,3-dioxol-2-one
PubChem CID66743104
Molecular FormulaC4H3FO3
Molecular Weight118.06 g/mol
Exact Mass118.01
IUPAC Name4-(fluoromethyl)-1,3-dioxol-2-one
SMILESO=c1occ(CF)o1
InChIInChI=1S/C4H3FO3/c5-1-3-2-7-4(6)8-3/h2H,1H2
InChIKeyQBBPWNDLJSXLJF-UHFFFAOYSA-N
XLogP0.70
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.06
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1,3-dioxol-2-one?
The IUPAC name of 4-(fluoromethyl)-1,3-dioxol-2-one (CID 66743104) is 4-(fluoromethyl)-1,3-dioxol-2-one.
What is the SMILES notation for 4-(fluoromethyl)-1,3-dioxol-2-one?
The canonical SMILES for 4-(fluoromethyl)-1,3-dioxol-2-one is O=c1occ(CF)o1.
What is the InChIKey of 4-(fluoromethyl)-1,3-dioxol-2-one?
The InChIKey is QBBPWNDLJSXLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FO3/c5-1-3-2-7-4(6)8-3/h2H,1H2.
What are the key properties of 4-(fluoromethyl)-1,3-dioxol-2-one?
4-(fluoromethyl)-1,3-dioxol-2-one has a molecular weight of 118.06 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1,3-dioxol-2-one is sourced from PubChem (CID 66743104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).