5-propyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-dioxane

C14H23F3O2 — CID 19763116

IUPAC5-propyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-dioxane
SMILESCCCC1COC(C2CCC(C(F)(F)F)CC2)OC1
InChIInChI=1S/C14H23F3O2/c1-2-3-10-8-18-13(19-9-10)11-4-6-12(7-5-11)14(15,16)17/h10-13H,2-9H2,1H3
InChIKeyKNHJXCCRUNXVHB-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.14
Rot. Bonds3

About 5-propyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-dioxane

5-propyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-dioxane (PubChem CID 19763116) has the molecular formula C14H23F3O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-propyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-dioxane.

Molecular Properties

Compound Name5-propyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-dioxane
PubChem CID19763116
Molecular FormulaC14H23F3O2
Molecular Weight280.33 g/mol
Exact Mass280.17
IUPAC Name5-propyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-dioxane
SMILESCCCC1COC(C2CCC(C(F)(F)F)CC2)OC1
InChIInChI=1S/C14H23F3O2/c1-2-3-10-8-18-13(19-9-10)11-4-6-12(7-5-11)14(15,16)17/h10-13H,2-9H2,1H3
InChIKeyKNHJXCCRUNXVHB-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-dioxane?
The IUPAC name of 5-propyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-dioxane (CID 19763116) is 5-propyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-dioxane.
What is the SMILES notation for 5-propyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-dioxane?
The canonical SMILES for 5-propyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-dioxane is CCCC1COC(C2CCC(C(F)(F)F)CC2)OC1.
What is the InChIKey of 5-propyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-dioxane?
The InChIKey is KNHJXCCRUNXVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3O2/c1-2-3-10-8-18-13(19-9-10)11-4-6-12(7-5-11)14(15,16)17/h10-13H,2-9H2,1H3.
What are the key properties of 5-propyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-dioxane?
5-propyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-dioxane has a molecular weight of 280.33 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-dioxane is sourced from PubChem (CID 19763116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).