2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-prop-2-enoxy-1,3-dioxane

C27H28F2O3 — CID 139874354

IUPAC2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-prop-2-enoxy-1,3-dioxane
SMILESC=CCOC1COC(CCc2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)OC1
InChIInChI=1S/C27H28F2O3/c1-2-15-30-24-17-31-26(32-18-24)14-7-20-6-13-25-22(16-20)10-9-21(27(25)29)8-3-19-4-11-23(28)12-5-19/h2,4-6,9-13,16,24,26H,1,3,7-8,14-15,17-18H2
InChIKeyZAZTYMQVKAAGHL-UHFFFAOYSA-N
MW438.51 g/mol
LogP5.78
Rot. Bonds9

About 2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-prop-2-enoxy-1,3-dioxane

2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-prop-2-enoxy-1,3-dioxane (PubChem CID 139874354) has the molecular formula C27H28F2O3 and a molecular weight of 438.51 g/mol. Its IUPAC name is 2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-prop-2-enoxy-1,3-dioxane.

Molecular Properties

Compound Name2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-prop-2-enoxy-1,3-dioxane
PubChem CID139874354
Molecular FormulaC27H28F2O3
Molecular Weight438.51 g/mol
Exact Mass438.20
IUPAC Name2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-prop-2-enoxy-1,3-dioxane
SMILESC=CCOC1COC(CCc2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)OC1
InChIInChI=1S/C27H28F2O3/c1-2-15-30-24-17-31-26(32-18-24)14-7-20-6-13-25-22(16-20)10-9-21(27(25)29)8-3-19-4-11-23(28)12-5-19/h2,4-6,9-13,16,24,26H,1,3,7-8,14-15,17-18H2
InChIKeyZAZTYMQVKAAGHL-UHFFFAOYSA-N
XLogP5.78
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.51
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-prop-2-enoxy-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

4-[2-[1-fluoro-6-[2-(5-heptoxy-1,3-dioxan-2-yl)ethyl]naphthalen-2-yl]ethyl]benzonitrile
CID 139874238
5-but-3-enyl-2-[2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-1,3-dioxane
CID 139872592
5-but-3-enyl-2-[2-[6-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-1,3-dioxane
CID 139871339
2-[2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-propyl-1,3-dioxane
CID 139875491
5-butoxy-2-[2-[6-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-1,3-dioxane
CID 139871802
5-ethyl-2-[2-[5-fluoro-6-[2-(3,4,5-trifluorophenyl)ethyl]naphthalen-2-yl]ethyl]-1,3-dioxane
CID 139873146
2-[2-[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]ethyl]-5-propyl-1,3-dioxane
CID 139875124
2-[2-[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]ethyl]-5-hexyl-1,3-dioxane
CID 139872802
2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)-1,3-dioxane
CID 139871137
1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-(4-pentylcyclohexyl)ethyl]naphthalene
CID 139873920
5-butyl-2-[2-[5-fluoro-6-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]ethyl]-1,3-dioxane
CID 139875043
4-[2-[1-fluoro-6-[2-(4-prop-2-enylcyclohexyl)ethyl]naphthalen-2-yl]ethyl]benzonitrile
CID 139874581

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-prop-2-enoxy-1,3-dioxane?
The IUPAC name of 2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-prop-2-enoxy-1,3-dioxane (CID 139874354) is 2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-prop-2-enoxy-1,3-dioxane.
What is the SMILES notation for 2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-prop-2-enoxy-1,3-dioxane?
The canonical SMILES for 2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-prop-2-enoxy-1,3-dioxane is C=CCOC1COC(CCc2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)OC1.
What is the InChIKey of 2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-prop-2-enoxy-1,3-dioxane?
The InChIKey is ZAZTYMQVKAAGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2O3/c1-2-15-30-24-17-31-26(32-18-24)14-7-20-6-13-25-22(16-20)10-9-21(27(25)29)8-3-19-4-11-23(28)12-5-19/h2,4-6,9-13,16,24,26H,1,3,7-8,14-15,17-18H2.
What are the key properties of 2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-prop-2-enoxy-1,3-dioxane?
2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-prop-2-enoxy-1,3-dioxane has a molecular weight of 438.51 g/mol, XLogP of 5.78, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-prop-2-enoxy-1,3-dioxane is sourced from PubChem (CID 139874354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).