5-fluoro-5-propyl-2-(4-propylcyclohexyl)-1,3-dioxane

C16H29FO2 — CID 15405275

IUPAC5-fluoro-5-propyl-2-(4-propylcyclohexyl)-1,3-dioxane
SMILESCCCC1CCC(C2OCC(F)(CCC)CO2)CC1
InChIInChI=1S/C16H29FO2/c1-3-5-13-6-8-14(9-7-13)15-18-11-16(17,10-4-2)12-19-15/h13-15H,3-12H2,1-2H3
InChIKeyWXXBHIDJNXOHNN-UHFFFAOYSA-N
MW272.40 g/mol
LogP4.47
Rot. Bonds5

About 5-fluoro-5-propyl-2-(4-propylcyclohexyl)-1,3-dioxane

5-fluoro-5-propyl-2-(4-propylcyclohexyl)-1,3-dioxane (PubChem CID 15405275) has the molecular formula C16H29FO2 and a molecular weight of 272.40 g/mol. Its IUPAC name is 5-fluoro-5-propyl-2-(4-propylcyclohexyl)-1,3-dioxane.

Molecular Properties

Compound Name5-fluoro-5-propyl-2-(4-propylcyclohexyl)-1,3-dioxane
PubChem CID15405275
Molecular FormulaC16H29FO2
Molecular Weight272.40 g/mol
Exact Mass272.22
IUPAC Name5-fluoro-5-propyl-2-(4-propylcyclohexyl)-1,3-dioxane
SMILESCCCC1CCC(C2OCC(F)(CCC)CO2)CC1
InChIInChI=1S/C16H29FO2/c1-3-5-13-6-8-14(9-7-13)15-18-11-16(17,10-4-2)12-19-15/h13-15H,3-12H2,1-2H3
InChIKeyWXXBHIDJNXOHNN-UHFFFAOYSA-N
XLogP4.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-5-propyl-2-(4-propylcyclohexyl)-1,3-dioxane?
The IUPAC name of 5-fluoro-5-propyl-2-(4-propylcyclohexyl)-1,3-dioxane (CID 15405275) is 5-fluoro-5-propyl-2-(4-propylcyclohexyl)-1,3-dioxane.
What is the SMILES notation for 5-fluoro-5-propyl-2-(4-propylcyclohexyl)-1,3-dioxane?
The canonical SMILES for 5-fluoro-5-propyl-2-(4-propylcyclohexyl)-1,3-dioxane is CCCC1CCC(C2OCC(F)(CCC)CO2)CC1.
What is the InChIKey of 5-fluoro-5-propyl-2-(4-propylcyclohexyl)-1,3-dioxane?
The InChIKey is WXXBHIDJNXOHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29FO2/c1-3-5-13-6-8-14(9-7-13)15-18-11-16(17,10-4-2)12-19-15/h13-15H,3-12H2,1-2H3.
What are the key properties of 5-fluoro-5-propyl-2-(4-propylcyclohexyl)-1,3-dioxane?
5-fluoro-5-propyl-2-(4-propylcyclohexyl)-1,3-dioxane has a molecular weight of 272.40 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-5-propyl-2-(4-propylcyclohexyl)-1,3-dioxane is sourced from PubChem (CID 15405275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).