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

C20H19F3O2 — CID 126765069

IUPAC2-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-5-ethenyloxane
SMILESC=CC1CCC(c2ccc(-c3ccc(OC)cc3F)c(F)c2F)OC1
InChIInChI=1S/C20H19F3O2/c1-3-12-4-9-18(25-11-12)16-8-7-15(19(22)20(16)23)14-6-5-13(24-2)10-17(14)21/h3,5-8,10,12,18H,1,4,9,11H2,2H3
InChIKeyYKQHVFBJBUYXEL-UHFFFAOYSA-N
MW348.36 g/mol
LogP5.43
Rot. Bonds4

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

2-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-5-ethenyloxane (PubChem CID 126765069) has the molecular formula C20H19F3O2 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-5-ethenyloxane.

Molecular Properties

Compound Name2-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-5-ethenyloxane
PubChem CID126765069
Molecular FormulaC20H19F3O2
Molecular Weight348.36 g/mol
Exact Mass348.13
IUPAC Name2-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-5-ethenyloxane
SMILESC=CC1CCC(c2ccc(-c3ccc(OC)cc3F)c(F)c2F)OC1
InChIInChI=1S/C20H19F3O2/c1-3-12-4-9-18(25-11-12)16-8-7-15(19(22)20(16)23)14-6-5-13(24-2)10-17(14)21/h3,5-8,10,12,18H,1,4,9,11H2,2H3
InChIKeyYKQHVFBJBUYXEL-UHFFFAOYSA-N
XLogP5.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.36
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-5-ethenyloxane
CID 126765062
5-ethenyl-2-[4-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]oxane
CID 58535777
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-(6-ethoxyoxan-3-yl)-2,3-difluorophenyl]-2,3-difluorophenyl]oxane
CID 58535444
2-[4-(4-butoxy-2-fluorophenyl)-2,3-difluorophenyl]-5-butyloxane
CID 126765014
5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethoxyoxane
CID 126765141
5-butyl-2-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]oxane
CID 126765008
2-[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenyl]-5-(propoxymethyl)oxane
CID 126765084
2-[2,3-difluoro-4-(2-fluoro-4-propoxyphenyl)phenyl]-5-heptyloxane
CID 126765066
5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-pentyloxane
CID 126765182

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-5-ethenyloxane?
The IUPAC name of 2-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-5-ethenyloxane (CID 126765069) is 2-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-5-ethenyloxane.
What is the SMILES notation for 2-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-5-ethenyloxane?
The canonical SMILES for 2-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-5-ethenyloxane is C=CC1CCC(c2ccc(-c3ccc(OC)cc3F)c(F)c2F)OC1.
What is the InChIKey of 2-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-5-ethenyloxane?
The InChIKey is YKQHVFBJBUYXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3O2/c1-3-12-4-9-18(25-11-12)16-8-7-15(19(22)20(16)23)14-6-5-13(24-2)10-17(14)21/h3,5-8,10,12,18H,1,4,9,11H2,2H3.
What are the key properties of 2-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-5-ethenyloxane?
2-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-5-ethenyloxane has a molecular weight of 348.36 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-5-ethenyloxane is sourced from PubChem (CID 126765069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).