4-fluoro-2,2,4,5,5-pentamethyl-1,3-dioxolane

C8H15FO2 — CID 59841317

IUPAC4-fluoro-2,2,4,5,5-pentamethyl-1,3-dioxolane
SMILESCC1(C)OC(C)(C)C(C)(F)O1
InChIInChI=1S/C8H15FO2/c1-6(2)8(5,9)11-7(3,4)10-6/h1-5H3
InChIKeyFZPNAOPJFFQIEQ-UHFFFAOYSA-N
MW162.20 g/mol
LogP2.23
Rot. Bonds

About 4-fluoro-2,2,4,5,5-pentamethyl-1,3-dioxolane

4-fluoro-2,2,4,5,5-pentamethyl-1,3-dioxolane (PubChem CID 59841317) has the molecular formula C8H15FO2 and a molecular weight of 162.20 g/mol. Its IUPAC name is 4-fluoro-2,2,4,5,5-pentamethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-fluoro-2,2,4,5,5-pentamethyl-1,3-dioxolane
PubChem CID59841317
Molecular FormulaC8H15FO2
Molecular Weight162.20 g/mol
Exact Mass162.11
IUPAC Name4-fluoro-2,2,4,5,5-pentamethyl-1,3-dioxolane
SMILESCC1(C)OC(C)(C)C(C)(F)O1
InChIInChI=1S/C8H15FO2/c1-6(2)8(5,9)11-7(3,4)10-6/h1-5H3
InChIKeyFZPNAOPJFFQIEQ-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,2,4,5,5-pentamethyl-1,3-dioxolane?
The IUPAC name of 4-fluoro-2,2,4,5,5-pentamethyl-1,3-dioxolane (CID 59841317) is 4-fluoro-2,2,4,5,5-pentamethyl-1,3-dioxolane.
What is the SMILES notation for 4-fluoro-2,2,4,5,5-pentamethyl-1,3-dioxolane?
The canonical SMILES for 4-fluoro-2,2,4,5,5-pentamethyl-1,3-dioxolane is CC1(C)OC(C)(C)C(C)(F)O1.
What is the InChIKey of 4-fluoro-2,2,4,5,5-pentamethyl-1,3-dioxolane?
The InChIKey is FZPNAOPJFFQIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO2/c1-6(2)8(5,9)11-7(3,4)10-6/h1-5H3.
What are the key properties of 4-fluoro-2,2,4,5,5-pentamethyl-1,3-dioxolane?
4-fluoro-2,2,4,5,5-pentamethyl-1,3-dioxolane has a molecular weight of 162.20 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,2,4,5,5-pentamethyl-1,3-dioxolane is sourced from PubChem (CID 59841317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).