4-fluoro-5-(trifluoromethyl)-1,3-dioxol-2-one

C4F4O3 — CID 139390780

IUPAC4-fluoro-5-(trifluoromethyl)-1,3-dioxol-2-one
SMILESO=c1oc(F)c(C(F)(F)F)o1
InChIInChI=1S/C4F4O3/c5-2-1(4(6,7)8)10-3(9)11-2
InChIKeyUEMYNSMMHUVCCI-UHFFFAOYSA-N
MW172.03 g/mol
LogP1.39
Rot. Bonds

About 4-fluoro-5-(trifluoromethyl)-1,3-dioxol-2-one

4-fluoro-5-(trifluoromethyl)-1,3-dioxol-2-one (PubChem CID 139390780) has the molecular formula C4F4O3 and a molecular weight of 172.03 g/mol. Its IUPAC name is 4-fluoro-5-(trifluoromethyl)-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-fluoro-5-(trifluoromethyl)-1,3-dioxol-2-one
PubChem CID139390780
Molecular FormulaC4F4O3
Molecular Weight172.03 g/mol
Exact Mass171.98
IUPAC Name4-fluoro-5-(trifluoromethyl)-1,3-dioxol-2-one
SMILESO=c1oc(F)c(C(F)(F)F)o1
InChIInChI=1S/C4F4O3/c5-2-1(4(6,7)8)10-3(9)11-2
InChIKeyUEMYNSMMHUVCCI-UHFFFAOYSA-N
XLogP1.39
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.03
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-(trifluoromethyl)-1,3-dioxol-2-one?
The IUPAC name of 4-fluoro-5-(trifluoromethyl)-1,3-dioxol-2-one (CID 139390780) is 4-fluoro-5-(trifluoromethyl)-1,3-dioxol-2-one.
What is the SMILES notation for 4-fluoro-5-(trifluoromethyl)-1,3-dioxol-2-one?
The canonical SMILES for 4-fluoro-5-(trifluoromethyl)-1,3-dioxol-2-one is O=c1oc(F)c(C(F)(F)F)o1.
What is the InChIKey of 4-fluoro-5-(trifluoromethyl)-1,3-dioxol-2-one?
The InChIKey is UEMYNSMMHUVCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F4O3/c5-2-1(4(6,7)8)10-3(9)11-2.
What are the key properties of 4-fluoro-5-(trifluoromethyl)-1,3-dioxol-2-one?
4-fluoro-5-(trifluoromethyl)-1,3-dioxol-2-one has a molecular weight of 172.03 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(trifluoromethyl)-1,3-dioxol-2-one is sourced from PubChem (CID 139390780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).