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

C10H18F2O2 — CID 58862897

IUPAC2-(1,1-difluoroethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane
SMILESCC(F)(F)C1(C)OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H18F2O2/c1-7(2)8(3,4)14-10(6,13-7)9(5,11)12/h1-6H3
InChIKeyZKTCQEFECIWHLC-UHFFFAOYSA-N
MW208.25 g/mol
LogP2.96
Rot. Bonds1

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

2-(1,1-difluoroethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane (PubChem CID 58862897) has the molecular formula C10H18F2O2 and a molecular weight of 208.25 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane
PubChem CID58862897
Molecular FormulaC10H18F2O2
Molecular Weight208.25 g/mol
Exact Mass208.13
IUPAC Name2-(1,1-difluoroethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane
SMILESCC(F)(F)C1(C)OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H18F2O2/c1-7(2)8(3,4)14-10(6,13-7)9(5,11)12/h1-6H3
InChIKeyZKTCQEFECIWHLC-UHFFFAOYSA-N
XLogP2.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane?
The IUPAC name of 2-(1,1-difluoroethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane (CID 58862897) is 2-(1,1-difluoroethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane.
What is the SMILES notation for 2-(1,1-difluoroethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane?
The canonical SMILES for 2-(1,1-difluoroethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane is CC(F)(F)C1(C)OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-(1,1-difluoroethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane?
The InChIKey is ZKTCQEFECIWHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O2/c1-7(2)8(3,4)14-10(6,13-7)9(5,11)12/h1-6H3.
What are the key properties of 2-(1,1-difluoroethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane?
2-(1,1-difluoroethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane has a molecular weight of 208.25 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane is sourced from PubChem (CID 58862897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).