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

C10H23FO2 — CID 162127265

IUPAC4-fluoro-2,2,4,5,5-pentamethyl-1,3-dioxolane;methane
SMILESC.C.CC1(C)OC(C)(C)C(C)(F)O1
InChIInChI=1S/C8H15FO2.2CH4/c1-6(2)8(5,9)11-7(3,4)10-6;;/h1-5H3;2*1H4
InChIKeyZIEVPYJNACHICY-UHFFFAOYSA-N
MW194.29 g/mol
LogP3.51
Rot. Bonds

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

4-fluoro-2,2,4,5,5-pentamethyl-1,3-dioxolane;methane (PubChem CID 162127265) has the molecular formula C10H23FO2 and a molecular weight of 194.29 g/mol. Its IUPAC name is 4-fluoro-2,2,4,5,5-pentamethyl-1,3-dioxolane;methane.

Molecular Properties

Compound Name4-fluoro-2,2,4,5,5-pentamethyl-1,3-dioxolane;methane
PubChem CID162127265
Molecular FormulaC10H23FO2
Molecular Weight194.29 g/mol
Exact Mass194.17
IUPAC Name4-fluoro-2,2,4,5,5-pentamethyl-1,3-dioxolane;methane
SMILESC.C.CC1(C)OC(C)(C)C(C)(F)O1
InChIInChI=1S/C8H15FO2.2CH4/c1-6(2)8(5,9)11-7(3,4)10-6;;/h1-5H3;2*1H4
InChIKeyZIEVPYJNACHICY-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.29
LogP ≤ 53.51
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;methane?
The IUPAC name of 4-fluoro-2,2,4,5,5-pentamethyl-1,3-dioxolane;methane (CID 162127265) is 4-fluoro-2,2,4,5,5-pentamethyl-1,3-dioxolane;methane.
What is the SMILES notation for 4-fluoro-2,2,4,5,5-pentamethyl-1,3-dioxolane;methane?
The canonical SMILES for 4-fluoro-2,2,4,5,5-pentamethyl-1,3-dioxolane;methane is C.C.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;methane?
The InChIKey is ZIEVPYJNACHICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO2.2CH4/c1-6(2)8(5,9)11-7(3,4)10-6;;/h1-5H3;2*1H4.
What are the key properties of 4-fluoro-2,2,4,5,5-pentamethyl-1,3-dioxolane;methane?
4-fluoro-2,2,4,5,5-pentamethyl-1,3-dioxolane;methane has a molecular weight of 194.29 g/mol, XLogP of 3.51, 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;methane is sourced from PubChem (CID 162127265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).