5-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane

C18H23F3O4 — CID 22876728

IUPAC5-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane
SMILESCCCC1COC(C2COC(c3ccc(C(F)(F)F)cc3)OC2)OC1
InChIInChI=1S/C18H23F3O4/c1-2-3-12-8-22-17(23-9-12)14-10-24-16(25-11-14)13-4-6-15(7-5-13)18(19,20)21/h4-7,12,14,16-17H,2-3,8-11H2,1H3
InChIKeyKYUJLTGUNCHSLL-UHFFFAOYSA-N
MW360.37 g/mol
LogP4.16
Rot. Bonds4

About 5-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane

5-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane (PubChem CID 22876728) has the molecular formula C18H23F3O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is 5-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane.

Molecular Properties

Compound Name5-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane
PubChem CID22876728
Molecular FormulaC18H23F3O4
Molecular Weight360.37 g/mol
Exact Mass360.15
IUPAC Name5-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane
SMILESCCCC1COC(C2COC(c3ccc(C(F)(F)F)cc3)OC2)OC1
InChIInChI=1S/C18H23F3O4/c1-2-3-12-8-22-17(23-9-12)14-10-24-16(25-11-14)13-4-6-15(7-5-13)18(19,20)21/h4-7,12,14,16-17H,2-3,8-11H2,1H3
InChIKeyKYUJLTGUNCHSLL-UHFFFAOYSA-N
XLogP4.16
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-5-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

Related Compounds

5-propyl-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane
CID 22876727
5-heptyl-2-[4-(trifluoromethyl)phenyl]-1,3-dioxane
CID 19021195
2-propyl-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane
CID 22910604
2-[4-[4-(3,3-difluoroprop-2-enyl)phenyl]phenyl]-5-(5-pentyl-1,3-dioxan-2-yl)-1,3-dioxane
CID 20599505
2-(4-butylcyclohexyl)-5-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-5-yl]pyrimidine
CID 118485229
5-hexyl-2-[4-[4-(trifluoromethyl)phenyl]cyclohex-3-en-1-yl]-1,3-dioxane
CID 167341454
5-butyl-2-[4-[difluoro-[4-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]-1,3-dioxane
CID 154526955
2-(4-bromophenyl)-5-pentyl-1,3-dioxane
CID 5194456
5-[2-(4-butylcyclohexyl)ethyl]-2-(4-fluorophenyl)-1,3-dioxane
CID 19738699
2-(3-fluorophenyl)-5-propyl-1,3-dioxane
CID 54244668
5-(4-propylcyclohexyl)-2-[4-(4-propylphenyl)phenyl]-1,3-dioxane
CID 70408940
5-decyl-2-[4-(trifluoromethoxy)phenyl]-1,3-dioxane
CID 19436142

Frequently Asked Questions

What is the IUPAC name of 5-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane?
The IUPAC name of 5-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane (CID 22876728) is 5-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane.
What is the SMILES notation for 5-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane?
The canonical SMILES for 5-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane is CCCC1COC(C2COC(c3ccc(C(F)(F)F)cc3)OC2)OC1.
What is the InChIKey of 5-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane?
The InChIKey is KYUJLTGUNCHSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3O4/c1-2-3-12-8-22-17(23-9-12)14-10-24-16(25-11-14)13-4-6-15(7-5-13)18(19,20)21/h4-7,12,14,16-17H,2-3,8-11H2,1H3.
What are the key properties of 5-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane?
5-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane has a molecular weight of 360.37 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane is sourced from PubChem (CID 22876728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).