2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane

C9H17FO2 — CID 58862900

IUPAC2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane
SMILESCC1(CF)OC(C)(C)C(C)(C)O1
InChIInChI=1S/C9H17FO2/c1-7(2)8(3,4)12-9(5,6-10)11-7/h6H2,1-5H3
InChIKeyGJIUDZLHJTVORJ-UHFFFAOYSA-N
MW176.23 g/mol
LogP2.28
Rot. Bonds1

About 2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane

2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane (PubChem CID 58862900) has the molecular formula C9H17FO2 and a molecular weight of 176.23 g/mol. Its IUPAC name is 2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane
PubChem CID58862900
Molecular FormulaC9H17FO2
Molecular Weight176.23 g/mol
Exact Mass176.12
IUPAC Name2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane
SMILESCC1(CF)OC(C)(C)C(C)(C)O1
InChIInChI=1S/C9H17FO2/c1-7(2)8(3,4)12-9(5,6-10)11-7/h6H2,1-5H3
InChIKeyGJIUDZLHJTVORJ-UHFFFAOYSA-N
XLogP2.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane?
The IUPAC name of 2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane (CID 58862900) is 2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane.
What is the SMILES notation for 2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane?
The canonical SMILES for 2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane is CC1(CF)OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane?
The InChIKey is GJIUDZLHJTVORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO2/c1-7(2)8(3,4)12-9(5,6-10)11-7/h6H2,1-5H3.
What are the key properties of 2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane?
2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane has a molecular weight of 176.23 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane is sourced from PubChem (CID 58862900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).