4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole

C5H3F5O2 — CID 54049610

IUPAC4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole
SMILESCC1(C(F)(F)F)OC(F)=C(F)O1
InChIInChI=1S/C5H3F5O2/c1-4(5(8,9)10)11-2(6)3(7)12-4/h1H3
InChIKeyLRYURLDVMXUGBI-UHFFFAOYSA-N
MW190.07 g/mol
LogP2.38
Rot. Bonds

About 4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole

4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole (PubChem CID 54049610) has the molecular formula C5H3F5O2 and a molecular weight of 190.07 g/mol. Its IUPAC name is 4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole.

Molecular Properties

Compound Name4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole
PubChem CID54049610
Molecular FormulaC5H3F5O2
Molecular Weight190.07 g/mol
Exact Mass190.01
IUPAC Name4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole
SMILESCC1(C(F)(F)F)OC(F)=C(F)O1
InChIInChI=1S/C5H3F5O2/c1-4(5(8,9)10)11-2(6)3(7)12-4/h1H3
InChIKeyLRYURLDVMXUGBI-UHFFFAOYSA-N
XLogP2.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole?
The IUPAC name of 4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole (CID 54049610) is 4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole.
What is the SMILES notation for 4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole?
The canonical SMILES for 4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole is CC1(C(F)(F)F)OC(F)=C(F)O1.
What is the InChIKey of 4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole?
The InChIKey is LRYURLDVMXUGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F5O2/c1-4(5(8,9)10)11-2(6)3(7)12-4/h1H3.
What are the key properties of 4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole?
4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole has a molecular weight of 190.07 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole is sourced from PubChem (CID 54049610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).