5-fluoro-2-[3-fluoro-4-[2-(6-propyloxan-3-yl)ethyl]phenyl]-5-propyl-1,3-dioxane

C23H34F2O3 — CID 118594060

IUPAC5-fluoro-2-[3-fluoro-4-[2-(6-propyloxan-3-yl)ethyl]phenyl]-5-propyl-1,3-dioxane
SMILESCCCC1CCC(CCc2ccc(C3OCC(F)(CCC)CO3)cc2F)CO1
InChIInChI=1S/C23H34F2O3/c1-3-5-20-11-7-17(14-26-20)6-8-18-9-10-19(13-21(18)24)22-27-15-23(25,12-4-2)16-28-22/h9-10,13,17,20,22H,3-8,11-12,14-16H2,1-2H3
InChIKeyWXYKAJDTELXCGV-UHFFFAOYSA-N
MW396.52 g/mol
LogP5.91
Rot. Bonds8

About 5-fluoro-2-[3-fluoro-4-[2-(6-propyloxan-3-yl)ethyl]phenyl]-5-propyl-1,3-dioxane

5-fluoro-2-[3-fluoro-4-[2-(6-propyloxan-3-yl)ethyl]phenyl]-5-propyl-1,3-dioxane (PubChem CID 118594060) has the molecular formula C23H34F2O3 and a molecular weight of 396.52 g/mol. Its IUPAC name is 5-fluoro-2-[3-fluoro-4-[2-(6-propyloxan-3-yl)ethyl]phenyl]-5-propyl-1,3-dioxane.

Molecular Properties

Compound Name5-fluoro-2-[3-fluoro-4-[2-(6-propyloxan-3-yl)ethyl]phenyl]-5-propyl-1,3-dioxane
PubChem CID118594060
Molecular FormulaC23H34F2O3
Molecular Weight396.52 g/mol
Exact Mass396.25
IUPAC Name5-fluoro-2-[3-fluoro-4-[2-(6-propyloxan-3-yl)ethyl]phenyl]-5-propyl-1,3-dioxane
SMILESCCCC1CCC(CCc2ccc(C3OCC(F)(CCC)CO3)cc2F)CO1
InChIInChI=1S/C23H34F2O3/c1-3-5-20-11-7-17(14-26-20)6-8-18-9-10-19(13-21(18)24)22-27-15-23(25,12-4-2)16-28-22/h9-10,13,17,20,22H,3-8,11-12,14-16H2,1-2H3
InChIKeyWXYKAJDTELXCGV-UHFFFAOYSA-N
XLogP5.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.52
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-2-[3-fluoro-4-[2-(6-propyloxan-3-yl)ethyl]phenyl]-5-propyl-1,3-dioxane with MolForge

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Launch Full Analysis

Related Compounds

[2-fluoro-4-(5-fluoro-5-propyl-1,3-dioxan-2-yl)phenyl] 6-propyloxane-3-carboxylate
CID 118594081
5-fluoro-2-[3-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenyl]-5-propyl-1,3-dioxane
CID 118594159
2-[4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-3-fluorophenyl]-5-fluoro-5-propyl-1,3-dioxane
CID 118594214
2-[4-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]phenyl]-5-fluoro-5-propyl-1,3-dioxane
CID 118594158
2-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-5-fluoro-5-propyl-1,3-dioxane
CID 118593933
2-[1,2-difluoro-2-[3-fluoro-4-(6-propyloxan-3-yl)phenyl]ethenyl]-5-fluoro-5-propyl-1,3-dioxane
CID 123910749
2-[4-[2-[4-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]cyclohexyl]ethyl]-3-fluorophenyl]oxirane
CID 88964043
[3-fluoro-4-(6-propyloxan-3-yl)phenyl] 5-fluoro-5-propyl-1,3-dioxane-2-carboxylate
CID 118594022
1-[2-(4-butylcyclohexyl)ethyl]-2-fluoro-4-(4-pentylcyclohexyl)benzene
CID 151118994
2-[4-[4-(4-ethoxy-2,3-difluorophenyl)-2-fluorophenyl]-3-fluorophenyl]-5-fluoro-5-propyl-1,3-dioxane
CID 118594178
[2-fluoro-4-(5-fluoro-5-propyl-1,3-dioxan-2-yl)phenyl] 6-(4-ethylcyclohexyl)oxane-3-carboxylate
CID 118594208
2,5-dipropyloxane
CID 118909754

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[3-fluoro-4-[2-(6-propyloxan-3-yl)ethyl]phenyl]-5-propyl-1,3-dioxane?
The IUPAC name of 5-fluoro-2-[3-fluoro-4-[2-(6-propyloxan-3-yl)ethyl]phenyl]-5-propyl-1,3-dioxane (CID 118594060) is 5-fluoro-2-[3-fluoro-4-[2-(6-propyloxan-3-yl)ethyl]phenyl]-5-propyl-1,3-dioxane.
What is the SMILES notation for 5-fluoro-2-[3-fluoro-4-[2-(6-propyloxan-3-yl)ethyl]phenyl]-5-propyl-1,3-dioxane?
The canonical SMILES for 5-fluoro-2-[3-fluoro-4-[2-(6-propyloxan-3-yl)ethyl]phenyl]-5-propyl-1,3-dioxane is CCCC1CCC(CCc2ccc(C3OCC(F)(CCC)CO3)cc2F)CO1.
What is the InChIKey of 5-fluoro-2-[3-fluoro-4-[2-(6-propyloxan-3-yl)ethyl]phenyl]-5-propyl-1,3-dioxane?
The InChIKey is WXYKAJDTELXCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34F2O3/c1-3-5-20-11-7-17(14-26-20)6-8-18-9-10-19(13-21(18)24)22-27-15-23(25,12-4-2)16-28-22/h9-10,13,17,20,22H,3-8,11-12,14-16H2,1-2H3.
What are the key properties of 5-fluoro-2-[3-fluoro-4-[2-(6-propyloxan-3-yl)ethyl]phenyl]-5-propyl-1,3-dioxane?
5-fluoro-2-[3-fluoro-4-[2-(6-propyloxan-3-yl)ethyl]phenyl]-5-propyl-1,3-dioxane has a molecular weight of 396.52 g/mol, XLogP of 5.91, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[3-fluoro-4-[2-(6-propyloxan-3-yl)ethyl]phenyl]-5-propyl-1,3-dioxane is sourced from PubChem (CID 118594060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).