2-methyl-2-(trifluoromethyl)-1,3-dioxole

C5H5F3O2 — CID 59946186

IUPAC2-methyl-2-(trifluoromethyl)-1,3-dioxole
SMILESCC1(C(F)(F)F)OC=CO1
InChIInChI=1S/C5H5F3O2/c1-4(5(6,7)8)9-2-3-10-4/h2-3H,1H3
InChIKeyJHRWFVPTTGMSQH-UHFFFAOYSA-N
MW154.09 g/mol
LogP1.78
Rot. Bonds

About 2-methyl-2-(trifluoromethyl)-1,3-dioxole

2-methyl-2-(trifluoromethyl)-1,3-dioxole (PubChem CID 59946186) has the molecular formula C5H5F3O2 and a molecular weight of 154.09 g/mol. Its IUPAC name is 2-methyl-2-(trifluoromethyl)-1,3-dioxole.

Molecular Properties

Compound Name2-methyl-2-(trifluoromethyl)-1,3-dioxole
PubChem CID59946186
Molecular FormulaC5H5F3O2
Molecular Weight154.09 g/mol
Exact Mass154.02
IUPAC Name2-methyl-2-(trifluoromethyl)-1,3-dioxole
SMILESCC1(C(F)(F)F)OC=CO1
InChIInChI=1S/C5H5F3O2/c1-4(5(6,7)8)9-2-3-10-4/h2-3H,1H3
InChIKeyJHRWFVPTTGMSQH-UHFFFAOYSA-N
XLogP1.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.09
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(trifluoromethyl)-1,3-dioxole?
The IUPAC name of 2-methyl-2-(trifluoromethyl)-1,3-dioxole (CID 59946186) is 2-methyl-2-(trifluoromethyl)-1,3-dioxole.
What is the SMILES notation for 2-methyl-2-(trifluoromethyl)-1,3-dioxole?
The canonical SMILES for 2-methyl-2-(trifluoromethyl)-1,3-dioxole is CC1(C(F)(F)F)OC=CO1.
What is the InChIKey of 2-methyl-2-(trifluoromethyl)-1,3-dioxole?
The InChIKey is JHRWFVPTTGMSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O2/c1-4(5(6,7)8)9-2-3-10-4/h2-3H,1H3.
What are the key properties of 2-methyl-2-(trifluoromethyl)-1,3-dioxole?
2-methyl-2-(trifluoromethyl)-1,3-dioxole has a molecular weight of 154.09 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(trifluoromethyl)-1,3-dioxole is sourced from PubChem (CID 59946186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).