2-fluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane

C6H8F4O2 — CID 22887505

IUPAC2-fluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESCC1OC(F)(C(F)(F)F)OC1C
InChIInChI=1S/C6H8F4O2/c1-3-4(2)12-6(10,11-3)5(7,8)9/h3-4H,1-2H3
InChIKeyUESZHNQFWDDULH-UHFFFAOYSA-N
MW188.12 g/mol
LogP2.00
Rot. Bonds

About 2-fluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane

2-fluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 22887505) has the molecular formula C6H8F4O2 and a molecular weight of 188.12 g/mol. Its IUPAC name is 2-fluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-fluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID22887505
Molecular FormulaC6H8F4O2
Molecular Weight188.12 g/mol
Exact Mass188.05
IUPAC Name2-fluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane
SMILESCC1OC(F)(C(F)(F)F)OC1C
InChIInChI=1S/C6H8F4O2/c1-3-4(2)12-6(10,11-3)5(7,8)9/h3-4H,1-2H3
InChIKeyUESZHNQFWDDULH-UHFFFAOYSA-N
XLogP2.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.12
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 2-fluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane (CID 22887505) is 2-fluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 2-fluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 2-fluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane is CC1OC(F)(C(F)(F)F)OC1C.
What is the InChIKey of 2-fluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is UESZHNQFWDDULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F4O2/c1-3-4(2)12-6(10,11-3)5(7,8)9/h3-4H,1-2H3.
What are the key properties of 2-fluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane?
2-fluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 188.12 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,5-dimethyl-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 22887505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).