4-fluoro-2,4-dimethyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-1,3-dioxolane

C9H13F5O2 — CID 122595454

IUPAC4-fluoro-2,4-dimethyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-1,3-dioxolane
SMILESCC1(F)COC(C)(C(F)(F)C(C)(F)CF)O1
InChIInChI=1S/C9H13F5O2/c1-6(11,4-10)9(13,14)8(3)15-5-7(2,12)16-8/h4-5H2,1-3H3
InChIKeyWGNDAKCNMHFKLY-UHFFFAOYSA-N
MW248.19 g/mol
LogP2.77
Rot. Bonds3

About 4-fluoro-2,4-dimethyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-1,3-dioxolane

4-fluoro-2,4-dimethyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-1,3-dioxolane (PubChem CID 122595454) has the molecular formula C9H13F5O2 and a molecular weight of 248.19 g/mol. Its IUPAC name is 4-fluoro-2,4-dimethyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-fluoro-2,4-dimethyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-1,3-dioxolane
PubChem CID122595454
Molecular FormulaC9H13F5O2
Molecular Weight248.19 g/mol
Exact Mass248.08
IUPAC Name4-fluoro-2,4-dimethyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-1,3-dioxolane
SMILESCC1(F)COC(C)(C(F)(F)C(C)(F)CF)O1
InChIInChI=1S/C9H13F5O2/c1-6(11,4-10)9(13,14)8(3)15-5-7(2,12)16-8/h4-5H2,1-3H3
InChIKeyWGNDAKCNMHFKLY-UHFFFAOYSA-N
XLogP2.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,4-dimethyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-1,3-dioxolane?
The IUPAC name of 4-fluoro-2,4-dimethyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-1,3-dioxolane (CID 122595454) is 4-fluoro-2,4-dimethyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-1,3-dioxolane.
What is the SMILES notation for 4-fluoro-2,4-dimethyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-1,3-dioxolane?
The canonical SMILES for 4-fluoro-2,4-dimethyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-1,3-dioxolane is CC1(F)COC(C)(C(F)(F)C(C)(F)CF)O1.
What is the InChIKey of 4-fluoro-2,4-dimethyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-1,3-dioxolane?
The InChIKey is WGNDAKCNMHFKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F5O2/c1-6(11,4-10)9(13,14)8(3)15-5-7(2,12)16-8/h4-5H2,1-3H3.
What are the key properties of 4-fluoro-2,4-dimethyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-1,3-dioxolane?
4-fluoro-2,4-dimethyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-1,3-dioxolane has a molecular weight of 248.19 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,4-dimethyl-2-(1,1,2,3-tetrafluoro-2-methylpropyl)-1,3-dioxolane is sourced from PubChem (CID 122595454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).