4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane

C5H4F6O2 — CID 12846009

IUPAC4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane
SMILESCC1OC(F)(F)C(F)(C(F)(F)F)O1
InChIInChI=1S/C5H4F6O2/c1-2-12-3(6,4(7,8)9)5(10,11)13-2/h2H,1H3
InChIKeyQQXURIGMALONOZ-UHFFFAOYSA-N
MW210.07 g/mol
LogP2.20
Rot. Bonds

About 4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane

4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane (PubChem CID 12846009) has the molecular formula C5H4F6O2 and a molecular weight of 210.07 g/mol. Its IUPAC name is 4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane
PubChem CID12846009
Molecular FormulaC5H4F6O2
Molecular Weight210.07 g/mol
Exact Mass210.01
IUPAC Name4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane
SMILESCC1OC(F)(F)C(F)(C(F)(F)F)O1
InChIInChI=1S/C5H4F6O2/c1-2-12-3(6,4(7,8)9)5(10,11)13-2/h2H,1H3
InChIKeyQQXURIGMALONOZ-UHFFFAOYSA-N
XLogP2.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane (CID 12846009) is 4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane is CC1OC(F)(F)C(F)(C(F)(F)F)O1.
What is the InChIKey of 4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is QQXURIGMALONOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6O2/c1-2-12-3(6,4(7,8)9)5(10,11)13-2/h2H,1H3.
What are the key properties of 4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane?
4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 210.07 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 12846009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).