4-tert-butyl-5,5-difluoro-2,2,4-trimethyl-1,3-dioxolane

C10H18F2O2 — CID 58637702

IUPAC4-tert-butyl-5,5-difluoro-2,2,4-trimethyl-1,3-dioxolane
SMILESCC1(C)OC(F)(F)C(C)(C(C)(C)C)O1
InChIInChI=1S/C10H18F2O2/c1-7(2,3)9(6)10(11,12)14-8(4,5)13-9/h1-6H3
InChIKeyXLGDQIRPIOURRB-UHFFFAOYSA-N
MW208.25 g/mol
LogP3.17
Rot. Bonds

About 4-tert-butyl-5,5-difluoro-2,2,4-trimethyl-1,3-dioxolane

4-tert-butyl-5,5-difluoro-2,2,4-trimethyl-1,3-dioxolane (PubChem CID 58637702) has the molecular formula C10H18F2O2 and a molecular weight of 208.25 g/mol. Its IUPAC name is 4-tert-butyl-5,5-difluoro-2,2,4-trimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-tert-butyl-5,5-difluoro-2,2,4-trimethyl-1,3-dioxolane
PubChem CID58637702
Molecular FormulaC10H18F2O2
Molecular Weight208.25 g/mol
Exact Mass208.13
IUPAC Name4-tert-butyl-5,5-difluoro-2,2,4-trimethyl-1,3-dioxolane
SMILESCC1(C)OC(F)(F)C(C)(C(C)(C)C)O1
InChIInChI=1S/C10H18F2O2/c1-7(2,3)9(6)10(11,12)14-8(4,5)13-9/h1-6H3
InChIKeyXLGDQIRPIOURRB-UHFFFAOYSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5,5-difluoro-2,2,4-trimethyl-1,3-dioxolane?
The IUPAC name of 4-tert-butyl-5,5-difluoro-2,2,4-trimethyl-1,3-dioxolane (CID 58637702) is 4-tert-butyl-5,5-difluoro-2,2,4-trimethyl-1,3-dioxolane.
What is the SMILES notation for 4-tert-butyl-5,5-difluoro-2,2,4-trimethyl-1,3-dioxolane?
The canonical SMILES for 4-tert-butyl-5,5-difluoro-2,2,4-trimethyl-1,3-dioxolane is CC1(C)OC(F)(F)C(C)(C(C)(C)C)O1.
What is the InChIKey of 4-tert-butyl-5,5-difluoro-2,2,4-trimethyl-1,3-dioxolane?
The InChIKey is XLGDQIRPIOURRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O2/c1-7(2,3)9(6)10(11,12)14-8(4,5)13-9/h1-6H3.
What are the key properties of 4-tert-butyl-5,5-difluoro-2,2,4-trimethyl-1,3-dioxolane?
4-tert-butyl-5,5-difluoro-2,2,4-trimethyl-1,3-dioxolane has a molecular weight of 208.25 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5,5-difluoro-2,2,4-trimethyl-1,3-dioxolane is sourced from PubChem (CID 58637702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).