2-[4-[4-(4-ethenyl-3-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-ethoxyoxane

C27H23F5O2 — CID 58535731

IUPAC2-[4-[4-(4-ethenyl-3-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-ethoxyoxane
SMILESC=Cc1ccc(-c2ccc(-c3ccc(C4CCC(OCC)CO4)c(F)c3F)c(F)c2F)cc1F
InChIInChI=1S/C27H23F5O2/c1-3-15-5-6-16(13-22(15)28)18-8-9-19(25(30)24(18)29)20-10-11-21(27(32)26(20)31)23-12-7-17(14-34-23)33-4-2/h3,5-6,8-11,13,17,23H,1,4,7,12,14H2,2H3
InChIKeyAZVMFKJCEFJHQA-UHFFFAOYSA-N
MW474.47 g/mol
LogP7.62
Rot. Bonds6

About 2-[4-[4-(4-ethenyl-3-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-ethoxyoxane

2-[4-[4-(4-ethenyl-3-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-ethoxyoxane (PubChem CID 58535731) has the molecular formula C27H23F5O2 and a molecular weight of 474.47 g/mol. Its IUPAC name is 2-[4-[4-(4-ethenyl-3-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-ethoxyoxane.

Molecular Properties

Compound Name2-[4-[4-(4-ethenyl-3-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-ethoxyoxane
PubChem CID58535731
Molecular FormulaC27H23F5O2
Molecular Weight474.47 g/mol
Exact Mass474.16
IUPAC Name2-[4-[4-(4-ethenyl-3-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-ethoxyoxane
SMILESC=Cc1ccc(-c2ccc(-c3ccc(C4CCC(OCC)CO4)c(F)c3F)c(F)c2F)cc1F
InChIInChI=1S/C27H23F5O2/c1-3-15-5-6-16(13-22(15)28)18-8-9-19(25(30)24(18)29)20-10-11-21(27(32)26(20)31)23-12-7-17(14-34-23)33-4-2/h3,5-6,8-11,13,17,23H,1,4,7,12,14H2,2H3
InChIKeyAZVMFKJCEFJHQA-UHFFFAOYSA-N
XLogP7.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.47
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-[4-(4-ethenyl-3-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-ethoxyoxane 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-butoxy-2-[4-(4-ethenyl-2,3-difluorophenyl)-2-fluorophenyl]oxane
CID 126764559
2-[4-(4-butyl-2,3-difluorophenyl)-2-fluorophenyl]-5-ethoxyoxane
CID 126764492
5-ethenyl-2-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]oxane
CID 126765337
2-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-5-propoxyoxane
CID 126765033
2-[2,3-difluoro-4-(2-fluoro-4-propoxyphenyl)phenyl]-5-propoxyoxane
CID 126765052
5-ethenyl-2-[4-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]oxane
CID 58535777
2-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]-5-(ethoxymethyl)oxane
CID 126765361
5-but-2-enoxy-2-[4-[4-(2,3-difluoro-4-hexoxyphenyl)phenyl]-2,3-difluorophenyl]oxane
CID 77344187
5-[(E)-but-2-enoxy]-2-[4-[4-(2,3-difluoro-4-hexoxyphenyl)phenyl]-2,3-difluorophenyl]oxane
CID 67733015
2-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-5-ethyloxane
CID 126765240
2-[4-[4-(2,3-difluoro-4-hexoxyphenyl)phenyl]-2-fluorophenyl]-5-ethenyloxane
CID 67732567
2-[4-(2,3-difluoro-4-methylphenyl)-3-fluorophenyl]-5-ethoxyoxane
CID 126764737

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-ethenyl-3-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-ethoxyoxane?
The IUPAC name of 2-[4-[4-(4-ethenyl-3-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-ethoxyoxane (CID 58535731) is 2-[4-[4-(4-ethenyl-3-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-ethoxyoxane.
What is the SMILES notation for 2-[4-[4-(4-ethenyl-3-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-ethoxyoxane?
The canonical SMILES for 2-[4-[4-(4-ethenyl-3-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-ethoxyoxane is C=Cc1ccc(-c2ccc(-c3ccc(C4CCC(OCC)CO4)c(F)c3F)c(F)c2F)cc1F.
What is the InChIKey of 2-[4-[4-(4-ethenyl-3-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-ethoxyoxane?
The InChIKey is AZVMFKJCEFJHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F5O2/c1-3-15-5-6-16(13-22(15)28)18-8-9-19(25(30)24(18)29)20-10-11-21(27(32)26(20)31)23-12-7-17(14-34-23)33-4-2/h3,5-6,8-11,13,17,23H,1,4,7,12,14H2,2H3.
What are the key properties of 2-[4-[4-(4-ethenyl-3-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-ethoxyoxane?
2-[4-[4-(4-ethenyl-3-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-ethoxyoxane has a molecular weight of 474.47 g/mol, XLogP of 7.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-ethenyl-3-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-ethoxyoxane is sourced from PubChem (CID 58535731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).