2-(2,2-difluoroethenyl)-5-[5-(4-propylcyclohexyl)-1,3-dioxan-2-yl]-1,3-dioxane

C19H30F2O4 — CID 20599450

IUPAC2-(2,2-difluoroethenyl)-5-[5-(4-propylcyclohexyl)-1,3-dioxan-2-yl]-1,3-dioxane
SMILESCCCC1CCC(C2COC(C3COC(C=C(F)F)OC3)OC2)CC1
InChIInChI=1S/C19H30F2O4/c1-2-3-13-4-6-14(7-5-13)15-9-24-19(25-10-15)16-11-22-18(23-12-16)8-17(20)21/h8,13-16,18-19H,2-7,9-12H2,1H3
InChIKeyYOVZQNGJEKPBHZ-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.35
Rot. Bonds5

About 2-(2,2-difluoroethenyl)-5-[5-(4-propylcyclohexyl)-1,3-dioxan-2-yl]-1,3-dioxane

2-(2,2-difluoroethenyl)-5-[5-(4-propylcyclohexyl)-1,3-dioxan-2-yl]-1,3-dioxane (PubChem CID 20599450) has the molecular formula C19H30F2O4 and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-(2,2-difluoroethenyl)-5-[5-(4-propylcyclohexyl)-1,3-dioxan-2-yl]-1,3-dioxane.

Molecular Properties

Compound Name2-(2,2-difluoroethenyl)-5-[5-(4-propylcyclohexyl)-1,3-dioxan-2-yl]-1,3-dioxane
PubChem CID20599450
Molecular FormulaC19H30F2O4
Molecular Weight360.44 g/mol
Exact Mass360.21
IUPAC Name2-(2,2-difluoroethenyl)-5-[5-(4-propylcyclohexyl)-1,3-dioxan-2-yl]-1,3-dioxane
SMILESCCCC1CCC(C2COC(C3COC(C=C(F)F)OC3)OC2)CC1
InChIInChI=1S/C19H30F2O4/c1-2-3-13-4-6-14(7-5-13)15-9-24-19(25-10-15)16-11-22-18(23-12-16)8-17(20)21/h8,13-16,18-19H,2-7,9-12H2,1H3
InChIKeyYOVZQNGJEKPBHZ-UHFFFAOYSA-N
XLogP4.35
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethenyl)-5-[5-(4-propylcyclohexyl)-1,3-dioxan-2-yl]-1,3-dioxane?
The IUPAC name of 2-(2,2-difluoroethenyl)-5-[5-(4-propylcyclohexyl)-1,3-dioxan-2-yl]-1,3-dioxane (CID 20599450) is 2-(2,2-difluoroethenyl)-5-[5-(4-propylcyclohexyl)-1,3-dioxan-2-yl]-1,3-dioxane.
What is the SMILES notation for 2-(2,2-difluoroethenyl)-5-[5-(4-propylcyclohexyl)-1,3-dioxan-2-yl]-1,3-dioxane?
The canonical SMILES for 2-(2,2-difluoroethenyl)-5-[5-(4-propylcyclohexyl)-1,3-dioxan-2-yl]-1,3-dioxane is CCCC1CCC(C2COC(C3COC(C=C(F)F)OC3)OC2)CC1.
What is the InChIKey of 2-(2,2-difluoroethenyl)-5-[5-(4-propylcyclohexyl)-1,3-dioxan-2-yl]-1,3-dioxane?
The InChIKey is YOVZQNGJEKPBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30F2O4/c1-2-3-13-4-6-14(7-5-13)15-9-24-19(25-10-15)16-11-22-18(23-12-16)8-17(20)21/h8,13-16,18-19H,2-7,9-12H2,1H3.
What are the key properties of 2-(2,2-difluoroethenyl)-5-[5-(4-propylcyclohexyl)-1,3-dioxan-2-yl]-1,3-dioxane?
2-(2,2-difluoroethenyl)-5-[5-(4-propylcyclohexyl)-1,3-dioxan-2-yl]-1,3-dioxane has a molecular weight of 360.44 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethenyl)-5-[5-(4-propylcyclohexyl)-1,3-dioxan-2-yl]-1,3-dioxane is sourced from PubChem (CID 20599450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).