4-tert-butyl-5,5-difluoro-2,2-dimethyl-1,3-dioxane

C10H18F2O2 — CID 159796461

IUPAC4-tert-butyl-5,5-difluoro-2,2-dimethyl-1,3-dioxane
SMILESCC1(C)OCC(F)(F)C(C(C)(C)C)O1
InChIInChI=1S/C10H18F2O2/c1-8(2,3)7-10(11,12)6-13-9(4,5)14-7/h7H,6H2,1-5H3
InChIKeyANXKMWGGIJAQHL-UHFFFAOYSA-N
MW208.25 g/mol
LogP2.82
Rot. Bonds

About 4-tert-butyl-5,5-difluoro-2,2-dimethyl-1,3-dioxane

4-tert-butyl-5,5-difluoro-2,2-dimethyl-1,3-dioxane (PubChem CID 159796461) 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-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name4-tert-butyl-5,5-difluoro-2,2-dimethyl-1,3-dioxane
PubChem CID159796461
Molecular FormulaC10H18F2O2
Molecular Weight208.25 g/mol
Exact Mass208.13
IUPAC Name4-tert-butyl-5,5-difluoro-2,2-dimethyl-1,3-dioxane
SMILESCC1(C)OCC(F)(F)C(C(C)(C)C)O1
InChIInChI=1S/C10H18F2O2/c1-8(2,3)7-10(11,12)6-13-9(4,5)14-7/h7H,6H2,1-5H3
InChIKeyANXKMWGGIJAQHL-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
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-dimethyl-1,3-dioxane?
The IUPAC name of 4-tert-butyl-5,5-difluoro-2,2-dimethyl-1,3-dioxane (CID 159796461) is 4-tert-butyl-5,5-difluoro-2,2-dimethyl-1,3-dioxane.
What is the SMILES notation for 4-tert-butyl-5,5-difluoro-2,2-dimethyl-1,3-dioxane?
The canonical SMILES for 4-tert-butyl-5,5-difluoro-2,2-dimethyl-1,3-dioxane is CC1(C)OCC(F)(F)C(C(C)(C)C)O1.
What is the InChIKey of 4-tert-butyl-5,5-difluoro-2,2-dimethyl-1,3-dioxane?
The InChIKey is ANXKMWGGIJAQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O2/c1-8(2,3)7-10(11,12)6-13-9(4,5)14-7/h7H,6H2,1-5H3.
What are the key properties of 4-tert-butyl-5,5-difluoro-2,2-dimethyl-1,3-dioxane?
4-tert-butyl-5,5-difluoro-2,2-dimethyl-1,3-dioxane has a molecular weight of 208.25 g/mol, XLogP of 2.82, 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-dimethyl-1,3-dioxane is sourced from PubChem (CID 159796461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).