5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethoxyoxane

C20H21F3O3 — CID 126765141

IUPAC5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethoxyoxane
SMILESCCOC1CCC(c2ccc(-c3ccc(OC)cc3F)c(F)c2F)CO1
InChIInChI=1S/C20H21F3O3/c1-3-25-18-9-4-12(11-26-18)14-7-8-16(20(23)19(14)22)15-6-5-13(24-2)10-17(15)21/h5-8,10,12,18H,3-4,9,11H2,1-2H3
InChIKeyUMAURUVCFLWKCE-UHFFFAOYSA-N
MW366.38 g/mol
LogP5.04
Rot. Bonds5

About 5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethoxyoxane

5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethoxyoxane (PubChem CID 126765141) has the molecular formula C20H21F3O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is 5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethoxyoxane.

Molecular Properties

Compound Name5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethoxyoxane
PubChem CID126765141
Molecular FormulaC20H21F3O3
Molecular Weight366.38 g/mol
Exact Mass366.14
IUPAC Name5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethoxyoxane
SMILESCCOC1CCC(c2ccc(-c3ccc(OC)cc3F)c(F)c2F)CO1
InChIInChI=1S/C20H21F3O3/c1-3-25-18-9-4-12(11-26-18)14-7-8-16(20(23)19(14)22)15-6-5-13(24-2)10-17(15)21/h5-8,10,12,18H,3-4,9,11H2,1-2H3
InChIKeyUMAURUVCFLWKCE-UHFFFAOYSA-N
XLogP5.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.38
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-pentyloxane
CID 126765182
5-[4-(4-butyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propoxyoxane
CID 126765173
5-[4-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-2-ethoxyoxane
CID 126764605
5-ethenyl-2-[4-[4-(6-ethoxyoxan-3-yl)-2,3-difluorophenyl]-2,3-difluorophenyl]oxane
CID 58535444
5-[2,3-difluoro-4-(3-fluoro-4-pentoxyphenyl)phenyl]-2-ethoxyoxane
CID 126765420
5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-(propoxymethyl)oxane
CID 126765221
5-[4-(4-butyl-2,3-difluorophenyl)-3-fluorophenyl]-2-ethoxyoxane
CID 126764887
5-[4-(2,3-difluoro-4-methoxyphenyl)-3-fluorophenyl]-2-pentoxyoxane
CID 126764924
5-[4-(2,3-difluoro-4-methoxyphenyl)-2-fluorophenyl]-2-propoxyoxane
CID 126764647
5-[2-[4-[2,3-difluoro-4-(6-propyloxan-3-yl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane
CID 58535308
2-butoxy-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;5-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-ethenyloxane;2-butyl-5-[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl]oxane;2-butyl-5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethenyloxane;5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-heptyloxane;5-[2,3-difluoro-4-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-ethoxyoxane;2-ethenyl-5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane;5-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2-propyloxane;5-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-2-pentoxyoxane
CID 158925628
5-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-2-pentoxyoxane
CID 126765463

Frequently Asked Questions

What is the IUPAC name of 5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethoxyoxane?
The IUPAC name of 5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethoxyoxane (CID 126765141) is 5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethoxyoxane.
What is the SMILES notation for 5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethoxyoxane?
The canonical SMILES for 5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethoxyoxane is CCOC1CCC(c2ccc(-c3ccc(OC)cc3F)c(F)c2F)CO1.
What is the InChIKey of 5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethoxyoxane?
The InChIKey is UMAURUVCFLWKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3O3/c1-3-25-18-9-4-12(11-26-18)14-7-8-16(20(23)19(14)22)15-6-5-13(24-2)10-17(15)21/h5-8,10,12,18H,3-4,9,11H2,1-2H3.
What are the key properties of 5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethoxyoxane?
5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethoxyoxane has a molecular weight of 366.38 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethoxyoxane is sourced from PubChem (CID 126765141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).