2-[2-(2,3-difluorophenyl)ethenyl]-5-(3-fluoro-4-methylphenyl)oxane

C20H19F3O — CID 76658347

IUPAC2-[2-(2,3-difluorophenyl)ethenyl]-5-(3-fluoro-4-methylphenyl)oxane
SMILESCc1ccc(C2CCC(C=Cc3cccc(F)c3F)OC2)cc1F
InChIInChI=1S/C20H19F3O/c1-13-5-6-15(11-19(13)22)16-8-10-17(24-12-16)9-7-14-3-2-4-18(21)20(14)23/h2-7,9,11,16-17H,8,10,12H2,1H3
InChIKeyRIFZJEYZDSIGRJ-UHFFFAOYSA-N
MW332.37 g/mol
LogP5.39
Rot. Bonds3

About 2-[2-(2,3-difluorophenyl)ethenyl]-5-(3-fluoro-4-methylphenyl)oxane

2-[2-(2,3-difluorophenyl)ethenyl]-5-(3-fluoro-4-methylphenyl)oxane (PubChem CID 76658347) has the molecular formula C20H19F3O and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-[2-(2,3-difluorophenyl)ethenyl]-5-(3-fluoro-4-methylphenyl)oxane.

Molecular Properties

Compound Name2-[2-(2,3-difluorophenyl)ethenyl]-5-(3-fluoro-4-methylphenyl)oxane
PubChem CID76658347
Molecular FormulaC20H19F3O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name2-[2-(2,3-difluorophenyl)ethenyl]-5-(3-fluoro-4-methylphenyl)oxane
SMILESCc1ccc(C2CCC(C=Cc3cccc(F)c3F)OC2)cc1F
InChIInChI=1S/C20H19F3O/c1-13-5-6-15(11-19(13)22)16-8-10-17(24-12-16)9-7-14-3-2-4-18(21)20(14)23/h2-7,9,11,16-17H,8,10,12H2,1H3
InChIKeyRIFZJEYZDSIGRJ-UHFFFAOYSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.37
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-difluorophenyl)ethenyl]-5-(3-fluoro-4-methylphenyl)oxane?
The IUPAC name of 2-[2-(2,3-difluorophenyl)ethenyl]-5-(3-fluoro-4-methylphenyl)oxane (CID 76658347) is 2-[2-(2,3-difluorophenyl)ethenyl]-5-(3-fluoro-4-methylphenyl)oxane.
What is the SMILES notation for 2-[2-(2,3-difluorophenyl)ethenyl]-5-(3-fluoro-4-methylphenyl)oxane?
The canonical SMILES for 2-[2-(2,3-difluorophenyl)ethenyl]-5-(3-fluoro-4-methylphenyl)oxane is Cc1ccc(C2CCC(C=Cc3cccc(F)c3F)OC2)cc1F.
What is the InChIKey of 2-[2-(2,3-difluorophenyl)ethenyl]-5-(3-fluoro-4-methylphenyl)oxane?
The InChIKey is RIFZJEYZDSIGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3O/c1-13-5-6-15(11-19(13)22)16-8-10-17(24-12-16)9-7-14-3-2-4-18(21)20(14)23/h2-7,9,11,16-17H,8,10,12H2,1H3.
What are the key properties of 2-[2-(2,3-difluorophenyl)ethenyl]-5-(3-fluoro-4-methylphenyl)oxane?
2-[2-(2,3-difluorophenyl)ethenyl]-5-(3-fluoro-4-methylphenyl)oxane has a molecular weight of 332.37 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-difluorophenyl)ethenyl]-5-(3-fluoro-4-methylphenyl)oxane is sourced from PubChem (CID 76658347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).