5-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-2-ethyloxane

C21H23F3O2 — CID 126764859

IUPAC5-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-2-ethyloxane
SMILESCCOc1ccc(-c2ccc(C3CCC(CC)OC3)cc2F)c(F)c1F
InChIInChI=1S/C21H23F3O2/c1-3-15-7-5-14(12-26-15)13-6-8-16(18(22)11-13)17-9-10-19(25-4-2)21(24)20(17)23/h6,8-11,14-15H,3-5,7,12H2,1-2H3
InChIKeyGYUZMAFDJXYTFF-UHFFFAOYSA-N
MW364.41 g/mol
LogP5.84
Rot. Bonds5

About 5-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-2-ethyloxane

5-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-2-ethyloxane (PubChem CID 126764859) has the molecular formula C21H23F3O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-2-ethyloxane.

Molecular Properties

Compound Name5-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-2-ethyloxane
PubChem CID126764859
Molecular FormulaC21H23F3O2
Molecular Weight364.41 g/mol
Exact Mass364.17
IUPAC Name5-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-2-ethyloxane
SMILESCCOc1ccc(-c2ccc(C3CCC(CC)OC3)cc2F)c(F)c1F
InChIInChI=1S/C21H23F3O2/c1-3-15-7-5-14(12-26-15)13-6-8-16(18(22)11-13)17-9-10-19(25-4-2)21(24)20(17)23/h6,8-11,14-15H,3-5,7,12H2,1-2H3
InChIKeyGYUZMAFDJXYTFF-UHFFFAOYSA-N
XLogP5.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.41
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-(2,3-difluoro-4-pentoxyphenyl)-3-fluorophenyl]-2-propyloxane
CID 126764872
5-[4-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]-3-fluorophenyl]-2-prop-1-enyloxane
CID 76816020
5-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-2-[(E)-prop-1-enyl]oxane
CID 126764951
5-(4-ethenyl-3-fluorophenyl)-2-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]oxane
CID 58535465
5-[4-(4-butoxy-2,3-difluorophenyl)-3-fluorophenyl]-2-ethenyloxane
CID 126764940
1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 59874068
5-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-3-fluorophenyl]-2-pentyloxane
CID 67733137
5-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-2-(methoxymethyl)oxane
CID 126764958
1-ethoxy-2,3-difluoro-4-[2-fluoro-4-(4-nonylcyclohexyl)phenyl]benzene
CID 59874071
5-butoxy-2-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]oxane
CID 126764777
5-[4-(2,3-difluoro-4-methoxyphenyl)-3-fluorophenyl]-2-pentoxyoxane
CID 126764924
5-[4-(4-ethyl-2,3-difluorophenyl)-3-fluorophenyl]-2-hexyloxane
CID 126764861

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-2-ethyloxane?
The IUPAC name of 5-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-2-ethyloxane (CID 126764859) is 5-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-2-ethyloxane.
What is the SMILES notation for 5-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-2-ethyloxane?
The canonical SMILES for 5-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-2-ethyloxane is CCOc1ccc(-c2ccc(C3CCC(CC)OC3)cc2F)c(F)c1F.
What is the InChIKey of 5-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-2-ethyloxane?
The InChIKey is GYUZMAFDJXYTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3O2/c1-3-15-7-5-14(12-26-15)13-6-8-16(18(22)11-13)17-9-10-19(25-4-2)21(24)20(17)23/h6,8-11,14-15H,3-5,7,12H2,1-2H3.
What are the key properties of 5-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-2-ethyloxane?
5-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-2-ethyloxane has a molecular weight of 364.41 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-2-ethyloxane is sourced from PubChem (CID 126764859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).