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

C5H4F4O3 — CID 59435091

IUPAC4-fluoro-5-methyl-4-(trifluoromethyl)-1,3-dioxolan-2-one
SMILESCC1OC(=O)OC1(F)C(F)(F)F
InChIInChI=1S/C5H4F4O3/c1-2-4(6,5(7,8)9)12-3(10)11-2/h2H,1H3
InChIKeyJZTMHOMYASKVBE-UHFFFAOYSA-N
MW188.08 g/mol
LogP1.77
Rot. Bonds

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

4-fluoro-5-methyl-4-(trifluoromethyl)-1,3-dioxolan-2-one (PubChem CID 59435091) has the molecular formula C5H4F4O3 and a molecular weight of 188.08 g/mol. Its IUPAC name is 4-fluoro-5-methyl-4-(trifluoromethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-fluoro-5-methyl-4-(trifluoromethyl)-1,3-dioxolan-2-one
PubChem CID59435091
Molecular FormulaC5H4F4O3
Molecular Weight188.08 g/mol
Exact Mass188.01
IUPAC Name4-fluoro-5-methyl-4-(trifluoromethyl)-1,3-dioxolan-2-one
SMILESCC1OC(=O)OC1(F)C(F)(F)F
InChIInChI=1S/C5H4F4O3/c1-2-4(6,5(7,8)9)12-3(10)11-2/h2H,1H3
InChIKeyJZTMHOMYASKVBE-UHFFFAOYSA-N
XLogP1.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.08
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-4-(trifluoromethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-fluoro-5-methyl-4-(trifluoromethyl)-1,3-dioxolan-2-one (CID 59435091) is 4-fluoro-5-methyl-4-(trifluoromethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-fluoro-5-methyl-4-(trifluoromethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-fluoro-5-methyl-4-(trifluoromethyl)-1,3-dioxolan-2-one is CC1OC(=O)OC1(F)C(F)(F)F.
What is the InChIKey of 4-fluoro-5-methyl-4-(trifluoromethyl)-1,3-dioxolan-2-one?
The InChIKey is JZTMHOMYASKVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F4O3/c1-2-4(6,5(7,8)9)12-3(10)11-2/h2H,1H3.
What are the key properties of 4-fluoro-5-methyl-4-(trifluoromethyl)-1,3-dioxolan-2-one?
4-fluoro-5-methyl-4-(trifluoromethyl)-1,3-dioxolan-2-one has a molecular weight of 188.08 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-4-(trifluoromethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 59435091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).