5-[4-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-2-ethoxyoxane

C20H21F3O2 — CID 126764605

IUPAC5-[4-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-2-ethoxyoxane
SMILESCCOC1CCC(c2ccc(-c3ccc(C)c(F)c3F)cc2F)CO1
InChIInChI=1S/C20H21F3O2/c1-3-24-18-9-6-14(11-25-18)15-8-5-13(10-17(15)21)16-7-4-12(2)19(22)20(16)23/h4-5,7-8,10,14,18H,3,6,9,11H2,1-2H3
InChIKeyYUNZBJUSCIJMAX-UHFFFAOYSA-N
MW350.38 g/mol
LogP5.34
Rot. Bonds4

About 5-[4-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-2-ethoxyoxane

5-[4-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-2-ethoxyoxane (PubChem CID 126764605) has the molecular formula C20H21F3O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 5-[4-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-2-ethoxyoxane.

Molecular Properties

Compound Name5-[4-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-2-ethoxyoxane
PubChem CID126764605
Molecular FormulaC20H21F3O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name5-[4-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-2-ethoxyoxane
SMILESCCOC1CCC(c2ccc(-c3ccc(C)c(F)c3F)cc2F)CO1
InChIInChI=1S/C20H21F3O2/c1-3-24-18-9-6-14(11-25-18)15-8-5-13(10-17(15)21)16-7-4-12(2)19(22)20(16)23/h4-5,7-8,10,14,18H,3,6,9,11H2,1-2H3
InChIKeyYUNZBJUSCIJMAX-UHFFFAOYSA-N
XLogP5.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.38
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-2-propoxyoxane
CID 126764630
5-[4-(2,3-difluoro-4-methoxyphenyl)-2-fluorophenyl]-2-propoxyoxane
CID 126764647
5-[2,3-difluoro-4-(3-fluoro-4-pentoxyphenyl)phenyl]-2-ethoxyoxane
CID 126765420
5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-methoxyoxane
CID 126764609
5-[4-(4-ethyl-3-fluorophenyl)-2,3-difluorophenyl]-2-pentoxyoxane
CID 126765456
5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethoxyoxane
CID 126765141
5-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-2-pentoxyoxane
CID 126765463
5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-propyloxane
CID 126764610
5-[2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)phenyl]-2-pentoxyoxane
CID 126765460
5-[4-(2,3-difluoro-4-hexoxyphenyl)-2-fluorophenyl]-2-propyloxane
CID 126764628
2-[(E)-but-2-enoxy]-5-[4-[4-(2,3-difluoro-4-hexoxyphenyl)phenyl]-2-fluorophenyl]oxane
CID 67733779
5-[4-(2,3-difluoro-4-propylphenyl)-2-fluorophenyl]-2-methyloxane
CID 126764591

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-2-ethoxyoxane?
The IUPAC name of 5-[4-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-2-ethoxyoxane (CID 126764605) is 5-[4-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-2-ethoxyoxane.
What is the SMILES notation for 5-[4-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-2-ethoxyoxane?
The canonical SMILES for 5-[4-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-2-ethoxyoxane is CCOC1CCC(c2ccc(-c3ccc(C)c(F)c3F)cc2F)CO1.
What is the InChIKey of 5-[4-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-2-ethoxyoxane?
The InChIKey is YUNZBJUSCIJMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3O2/c1-3-24-18-9-6-14(11-25-18)15-8-5-13(10-17(15)21)16-7-4-12(2)19(22)20(16)23/h4-5,7-8,10,14,18H,3,6,9,11H2,1-2H3.
What are the key properties of 5-[4-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-2-ethoxyoxane?
5-[4-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-2-ethoxyoxane has a molecular weight of 350.38 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-2-ethoxyoxane is sourced from PubChem (CID 126764605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).