2-[6-[4-(difluoromethyl)-3,5-difluorocyclohexyl]oxan-3-yl]-5-methyl-1,3-dioxane

C17H26F4O3 — CID 70829424

IUPAC2-[6-[4-(difluoromethyl)-3,5-difluorocyclohexyl]oxan-3-yl]-5-methyl-1,3-dioxane
SMILESCC1COC(C2CCC(C3CC(F)C(C(F)F)C(F)C3)OC2)OC1
InChIInChI=1S/C17H26F4O3/c1-9-6-23-17(24-7-9)10-2-3-14(22-8-10)11-4-12(18)15(16(20)21)13(19)5-11/h9-17H,2-8H2,1H3
InChIKeyCNCXGIWQWIUVRX-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.76
Rot. Bonds3

About 2-[6-[4-(difluoromethyl)-3,5-difluorocyclohexyl]oxan-3-yl]-5-methyl-1,3-dioxane

2-[6-[4-(difluoromethyl)-3,5-difluorocyclohexyl]oxan-3-yl]-5-methyl-1,3-dioxane (PubChem CID 70829424) has the molecular formula C17H26F4O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is 2-[6-[4-(difluoromethyl)-3,5-difluorocyclohexyl]oxan-3-yl]-5-methyl-1,3-dioxane.

Molecular Properties

Compound Name2-[6-[4-(difluoromethyl)-3,5-difluorocyclohexyl]oxan-3-yl]-5-methyl-1,3-dioxane
PubChem CID70829424
Molecular FormulaC17H26F4O3
Molecular Weight354.38 g/mol
Exact Mass354.18
IUPAC Name2-[6-[4-(difluoromethyl)-3,5-difluorocyclohexyl]oxan-3-yl]-5-methyl-1,3-dioxane
SMILESCC1COC(C2CCC(C3CC(F)C(C(F)F)C(F)C3)OC2)OC1
InChIInChI=1S/C17H26F4O3/c1-9-6-23-17(24-7-9)10-2-3-14(22-8-10)11-4-12(18)15(16(20)21)13(19)5-11/h9-17H,2-8H2,1H3
InChIKeyCNCXGIWQWIUVRX-UHFFFAOYSA-N
XLogP3.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[6-[4-(difluoromethyl)-3,5-difluorocyclohexyl]oxan-3-yl]-5-methyl-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 2-[6-[4-(difluoromethyl)-3,5-difluorocyclohexyl]oxan-3-yl]-5-methyl-1,3-dioxane?
The IUPAC name of 2-[6-[4-(difluoromethyl)-3,5-difluorocyclohexyl]oxan-3-yl]-5-methyl-1,3-dioxane (CID 70829424) is 2-[6-[4-(difluoromethyl)-3,5-difluorocyclohexyl]oxan-3-yl]-5-methyl-1,3-dioxane.
What is the SMILES notation for 2-[6-[4-(difluoromethyl)-3,5-difluorocyclohexyl]oxan-3-yl]-5-methyl-1,3-dioxane?
The canonical SMILES for 2-[6-[4-(difluoromethyl)-3,5-difluorocyclohexyl]oxan-3-yl]-5-methyl-1,3-dioxane is CC1COC(C2CCC(C3CC(F)C(C(F)F)C(F)C3)OC2)OC1.
What is the InChIKey of 2-[6-[4-(difluoromethyl)-3,5-difluorocyclohexyl]oxan-3-yl]-5-methyl-1,3-dioxane?
The InChIKey is CNCXGIWQWIUVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F4O3/c1-9-6-23-17(24-7-9)10-2-3-14(22-8-10)11-4-12(18)15(16(20)21)13(19)5-11/h9-17H,2-8H2,1H3.
What are the key properties of 2-[6-[4-(difluoromethyl)-3,5-difluorocyclohexyl]oxan-3-yl]-5-methyl-1,3-dioxane?
2-[6-[4-(difluoromethyl)-3,5-difluorocyclohexyl]oxan-3-yl]-5-methyl-1,3-dioxane has a molecular weight of 354.38 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(difluoromethyl)-3,5-difluorocyclohexyl]oxan-3-yl]-5-methyl-1,3-dioxane is sourced from PubChem (CID 70829424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).