5,5-difluoro-2,2-dimethyl-4-propan-2-yl-1,3-dioxane

C9H16F2O2 — CID 159796459

IUPAC5,5-difluoro-2,2-dimethyl-4-propan-2-yl-1,3-dioxane
SMILESCC(C)C1OC(C)(C)OCC1(F)F
InChIInChI=1S/C9H16F2O2/c1-6(2)7-9(10,11)5-12-8(3,4)13-7/h6-7H,5H2,1-4H3
InChIKeyIZVLYPRSPPPZBT-UHFFFAOYSA-N
MW194.22 g/mol
LogP2.43
Rot. Bonds1

About 5,5-difluoro-2,2-dimethyl-4-propan-2-yl-1,3-dioxane

5,5-difluoro-2,2-dimethyl-4-propan-2-yl-1,3-dioxane (PubChem CID 159796459) has the molecular formula C9H16F2O2 and a molecular weight of 194.22 g/mol. Its IUPAC name is 5,5-difluoro-2,2-dimethyl-4-propan-2-yl-1,3-dioxane.

Molecular Properties

Compound Name5,5-difluoro-2,2-dimethyl-4-propan-2-yl-1,3-dioxane
PubChem CID159796459
Molecular FormulaC9H16F2O2
Molecular Weight194.22 g/mol
Exact Mass194.11
IUPAC Name5,5-difluoro-2,2-dimethyl-4-propan-2-yl-1,3-dioxane
SMILESCC(C)C1OC(C)(C)OCC1(F)F
InChIInChI=1S/C9H16F2O2/c1-6(2)7-9(10,11)5-12-8(3,4)13-7/h6-7H,5H2,1-4H3
InChIKeyIZVLYPRSPPPZBT-UHFFFAOYSA-N
XLogP2.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,5-difluoro-2,2-dimethyl-4-propan-2-yl-1,3-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2,2-dimethyl-4-propan-2-yl-1,3-dioxane?
The IUPAC name of 5,5-difluoro-2,2-dimethyl-4-propan-2-yl-1,3-dioxane (CID 159796459) is 5,5-difluoro-2,2-dimethyl-4-propan-2-yl-1,3-dioxane.
What is the SMILES notation for 5,5-difluoro-2,2-dimethyl-4-propan-2-yl-1,3-dioxane?
The canonical SMILES for 5,5-difluoro-2,2-dimethyl-4-propan-2-yl-1,3-dioxane is CC(C)C1OC(C)(C)OCC1(F)F.
What is the InChIKey of 5,5-difluoro-2,2-dimethyl-4-propan-2-yl-1,3-dioxane?
The InChIKey is IZVLYPRSPPPZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O2/c1-6(2)7-9(10,11)5-12-8(3,4)13-7/h6-7H,5H2,1-4H3.
What are the key properties of 5,5-difluoro-2,2-dimethyl-4-propan-2-yl-1,3-dioxane?
5,5-difluoro-2,2-dimethyl-4-propan-2-yl-1,3-dioxane has a molecular weight of 194.22 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2,2-dimethyl-4-propan-2-yl-1,3-dioxane is sourced from PubChem (CID 159796459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).