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

C6H3F7O2 — CID 58722755

IUPAC4-fluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxole
SMILESCC1=C(F)OC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C6H3F7O2/c1-2-3(7)15-4(14-2,5(8,9)10)6(11,12)13/h1H3
InChIKeyOKLILZZVZOKFMK-UHFFFAOYSA-N
MW240.07 g/mol
LogP3.01
Rot. Bonds

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

4-fluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxole (PubChem CID 58722755) has the molecular formula C6H3F7O2 and a molecular weight of 240.07 g/mol. Its IUPAC name is 4-fluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxole.

Molecular Properties

Compound Name4-fluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxole
PubChem CID58722755
Molecular FormulaC6H3F7O2
Molecular Weight240.07 g/mol
Exact Mass240.00
IUPAC Name4-fluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxole
SMILESCC1=C(F)OC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C6H3F7O2/c1-2-3(7)15-4(14-2,5(8,9)10)6(11,12)13/h1H3
InChIKeyOKLILZZVZOKFMK-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.07
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxole?
The IUPAC name of 4-fluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxole (CID 58722755) is 4-fluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxole.
What is the SMILES notation for 4-fluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxole?
The canonical SMILES for 4-fluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxole is CC1=C(F)OC(C(F)(F)F)(C(F)(F)F)O1.
What is the InChIKey of 4-fluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxole?
The InChIKey is OKLILZZVZOKFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F7O2/c1-2-3(7)15-4(14-2,5(8,9)10)6(11,12)13/h1H3.
What are the key properties of 4-fluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxole?
4-fluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxole has a molecular weight of 240.07 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxole is sourced from PubChem (CID 58722755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).