4,4,5-trifluoro-5-methyl-1,3-dioxolan-2-one

C4H3F3O3 — CID 22222697

IUPAC4,4,5-trifluoro-5-methyl-1,3-dioxolan-2-one
SMILESCC1(F)OC(=O)OC1(F)F
InChIInChI=1S/C4H3F3O3/c1-3(5)4(6,7)10-2(8)9-3/h1H3
InChIKeyYWBGDZJPAROAIO-UHFFFAOYSA-N
MW156.06 g/mol
LogP1.43
Rot. Bonds

About 4,4,5-trifluoro-5-methyl-1,3-dioxolan-2-one

4,4,5-trifluoro-5-methyl-1,3-dioxolan-2-one (PubChem CID 22222697) has the molecular formula C4H3F3O3 and a molecular weight of 156.06 g/mol. Its IUPAC name is 4,4,5-trifluoro-5-methyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4,4,5-trifluoro-5-methyl-1,3-dioxolan-2-one
PubChem CID22222697
Molecular FormulaC4H3F3O3
Molecular Weight156.06 g/mol
Exact Mass156.00
IUPAC Name4,4,5-trifluoro-5-methyl-1,3-dioxolan-2-one
SMILESCC1(F)OC(=O)OC1(F)F
InChIInChI=1S/C4H3F3O3/c1-3(5)4(6,7)10-2(8)9-3/h1H3
InChIKeyYWBGDZJPAROAIO-UHFFFAOYSA-N
XLogP1.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.06
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,5-trifluoro-5-methyl-1,3-dioxolan-2-one?
The IUPAC name of 4,4,5-trifluoro-5-methyl-1,3-dioxolan-2-one (CID 22222697) is 4,4,5-trifluoro-5-methyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4,4,5-trifluoro-5-methyl-1,3-dioxolan-2-one?
The canonical SMILES for 4,4,5-trifluoro-5-methyl-1,3-dioxolan-2-one is CC1(F)OC(=O)OC1(F)F.
What is the InChIKey of 4,4,5-trifluoro-5-methyl-1,3-dioxolan-2-one?
The InChIKey is YWBGDZJPAROAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3O3/c1-3(5)4(6,7)10-2(8)9-3/h1H3.
What are the key properties of 4,4,5-trifluoro-5-methyl-1,3-dioxolan-2-one?
4,4,5-trifluoro-5-methyl-1,3-dioxolan-2-one has a molecular weight of 156.06 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trifluoro-5-methyl-1,3-dioxolan-2-one is sourced from PubChem (CID 22222697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).