2,4-dimethyl-2-(trifluoromethyl)-1,3-dioxolane

C6H9F3O2 — CID 18737308

IUPAC2,4-dimethyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESCC1COC(C)(C(F)(F)F)O1
InChIInChI=1S/C6H9F3O2/c1-4-3-10-5(2,11-4)6(7,8)9/h4H,3H2,1-2H3
InChIKeyRAKFFHNUCSSNRP-UHFFFAOYSA-N
MW170.13 g/mol
LogP1.70
Rot. Bonds

About 2,4-dimethyl-2-(trifluoromethyl)-1,3-dioxolane

2,4-dimethyl-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 18737308) has the molecular formula C6H9F3O2 and a molecular weight of 170.13 g/mol. Its IUPAC name is 2,4-dimethyl-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,4-dimethyl-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID18737308
Molecular FormulaC6H9F3O2
Molecular Weight170.13 g/mol
Exact Mass170.06
IUPAC Name2,4-dimethyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESCC1COC(C)(C(F)(F)F)O1
InChIInChI=1S/C6H9F3O2/c1-4-3-10-5(2,11-4)6(7,8)9/h4H,3H2,1-2H3
InChIKeyRAKFFHNUCSSNRP-UHFFFAOYSA-N
XLogP1.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 2,4-dimethyl-2-(trifluoromethyl)-1,3-dioxolane (CID 18737308) is 2,4-dimethyl-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 2,4-dimethyl-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 2,4-dimethyl-2-(trifluoromethyl)-1,3-dioxolane is CC1COC(C)(C(F)(F)F)O1.
What is the InChIKey of 2,4-dimethyl-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is RAKFFHNUCSSNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O2/c1-4-3-10-5(2,11-4)6(7,8)9/h4H,3H2,1-2H3.
What are the key properties of 2,4-dimethyl-2-(trifluoromethyl)-1,3-dioxolane?
2,4-dimethyl-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 170.13 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 18737308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).