2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(2-methoxyethyl)-1,3-dioxane

C25H25F3O3 — CID 139872424

IUPAC2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(2-methoxyethyl)-1,3-dioxane
SMILESCOCCC1COC(c2ccc3c(F)c(CCc4ccc(F)c(F)c4)ccc3c2)OC1
InChIInChI=1S/C25H25F3O3/c1-29-11-10-17-14-30-25(31-15-17)20-7-8-21-19(13-20)6-5-18(24(21)28)4-2-16-3-9-22(26)23(27)12-16/h3,5-9,12-13,17,25H,2,4,10-11,14-15H2,1H3
InChIKeyWBWDWAWTTNAITE-UHFFFAOYSA-N
MW430.47 g/mol
LogP5.74
Rot. Bonds7

About 2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(2-methoxyethyl)-1,3-dioxane

2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(2-methoxyethyl)-1,3-dioxane (PubChem CID 139872424) has the molecular formula C25H25F3O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is 2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(2-methoxyethyl)-1,3-dioxane.

Molecular Properties

Compound Name2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(2-methoxyethyl)-1,3-dioxane
PubChem CID139872424
Molecular FormulaC25H25F3O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(2-methoxyethyl)-1,3-dioxane
SMILESCOCCC1COC(c2ccc3c(F)c(CCc4ccc(F)c(F)c4)ccc3c2)OC1
InChIInChI=1S/C25H25F3O3/c1-29-11-10-17-14-30-25(31-15-17)20-7-8-21-19(13-20)6-5-18(24(21)28)4-2-16-3-9-22(26)23(27)12-16/h3,5-9,12-13,17,25H,2,4,10-11,14-15H2,1H3
InChIKeyWBWDWAWTTNAITE-UHFFFAOYSA-N
XLogP5.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(2-methoxyethyl)-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-but-3-enyl-2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-1,3-dioxane
CID 139873835
2-[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(2-methoxyethyl)-1,3-dioxane
CID 139875646
2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-propyl-1,3-dioxane
CID 139873045
2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)-1,3-dioxane
CID 139871137
2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]-5-heptyl-1,3-dioxane
CID 139872861
2-[2-(3,4-difluorophenyl)ethyl]-1-fluoro-6-[4-(methoxymethyl)cyclohexyl]naphthalene
CID 139874229
2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]-5-[(E)-pent-3-enyl]-1,3-dioxane
CID 139871995
2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-heptyl-1,3-dioxane
CID 139871118
2-[6-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-[(E)-pent-3-enyl]-1,3-dioxane
CID 139874860
2-[6-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-propyl-1,3-dioxane
CID 139871102
2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]-5-hexyl-1,3-dioxane
CID 139872778
2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethyl-1,3-dioxane
CID 139875690

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(2-methoxyethyl)-1,3-dioxane?
The IUPAC name of 2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(2-methoxyethyl)-1,3-dioxane (CID 139872424) is 2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(2-methoxyethyl)-1,3-dioxane.
What is the SMILES notation for 2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(2-methoxyethyl)-1,3-dioxane?
The canonical SMILES for 2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(2-methoxyethyl)-1,3-dioxane is COCCC1COC(c2ccc3c(F)c(CCc4ccc(F)c(F)c4)ccc3c2)OC1.
What is the InChIKey of 2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(2-methoxyethyl)-1,3-dioxane?
The InChIKey is WBWDWAWTTNAITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3O3/c1-29-11-10-17-14-30-25(31-15-17)20-7-8-21-19(13-20)6-5-18(24(21)28)4-2-16-3-9-22(26)23(27)12-16/h3,5-9,12-13,17,25H,2,4,10-11,14-15H2,1H3.
What are the key properties of 2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(2-methoxyethyl)-1,3-dioxane?
2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(2-methoxyethyl)-1,3-dioxane has a molecular weight of 430.47 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(2-methoxyethyl)-1,3-dioxane is sourced from PubChem (CID 139872424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).