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

C18H23F3O5 — CID 22876727

IUPAC5-propyl-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane
SMILESCCCC1COC(C2COC(c3ccc(OC(F)(F)F)cc3)OC2)OC1
InChIInChI=1S/C18H23F3O5/c1-2-3-12-8-22-17(23-9-12)14-10-24-16(25-11-14)13-4-6-15(7-5-13)26-18(19,20)21/h4-7,12,14,16-17H,2-3,8-11H2,1H3
InChIKeyIUBJXOCMWCJCFN-UHFFFAOYSA-N
MW376.37 g/mol
LogP4.04
Rot. Bonds5

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

5-propyl-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane (PubChem CID 22876727) has the molecular formula C18H23F3O5 and a molecular weight of 376.37 g/mol. Its IUPAC name is 5-propyl-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane.

Molecular Properties

Compound Name5-propyl-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane
PubChem CID22876727
Molecular FormulaC18H23F3O5
Molecular Weight376.37 g/mol
Exact Mass376.15
IUPAC Name5-propyl-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane
SMILESCCCC1COC(C2COC(c3ccc(OC(F)(F)F)cc3)OC2)OC1
InChIInChI=1S/C18H23F3O5/c1-2-3-12-8-22-17(23-9-12)14-10-24-16(25-11-14)13-4-6-15(7-5-13)26-18(19,20)21/h4-7,12,14,16-17H,2-3,8-11H2,1H3
InChIKeyIUBJXOCMWCJCFN-UHFFFAOYSA-N
XLogP4.04
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane
CID 22876728
5-decyl-2-[4-(trifluoromethoxy)phenyl]-1,3-dioxane
CID 19436142
1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695352
5-butyl-2-[4-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]cyclohexyl]-1,3-dioxane
CID 20656925
5-hexyl-2-[4-[4-(trifluoromethoxy)phenyl]cyclohex-3-en-1-yl]-1,3-dioxane
CID 167341455
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,3-dioxane-5-thiol
CID 129170938
2-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-5-propyl-1,3-dioxane
CID 140749866
5-propyl-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,3,2-dioxaborinane
CID 139617397
2-[2-(4-propylcyclohexyl)ethyl]-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837145
2-[2-[3,5-difluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]-5-propyl-1,3-dioxane
CID 20656593
5-pentyl-2-(4-propoxyphenyl)-1,3-dioxane
CID 12924949
2-(4-butoxyphenyl)-5-heptyl-1,3-dioxane
CID 12924962

Frequently Asked Questions

What is the IUPAC name of 5-propyl-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane?
The IUPAC name of 5-propyl-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane (CID 22876727) is 5-propyl-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane.
What is the SMILES notation for 5-propyl-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane?
The canonical SMILES for 5-propyl-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane is CCCC1COC(C2COC(c3ccc(OC(F)(F)F)cc3)OC2)OC1.
What is the InChIKey of 5-propyl-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane?
The InChIKey is IUBJXOCMWCJCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3O5/c1-2-3-12-8-22-17(23-9-12)14-10-24-16(25-11-14)13-4-6-15(7-5-13)26-18(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-(trifluoromethoxy)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane?
5-propyl-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane has a molecular weight of 376.37 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane is sourced from PubChem (CID 22876727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).