5-(2,3-difluoro-4-prop-2-enoxyphenyl)-2-[(2-fluoro-4-methylphenoxy)methyl]oxane

C22H23F3O3 — CID 58141301

IUPAC5-(2,3-difluoro-4-prop-2-enoxyphenyl)-2-[(2-fluoro-4-methylphenoxy)methyl]oxane
SMILESC=CCOc1ccc(C2CCC(COc3ccc(C)cc3F)OC2)c(F)c1F
InChIInChI=1S/C22H23F3O3/c1-3-10-26-20-9-7-17(21(24)22(20)25)15-5-6-16(27-12-15)13-28-19-8-4-14(2)11-18(19)23/h3-4,7-9,11,15-16H,1,5-6,10,12-13H2,2H3
InChIKeyYOFIHCNEUINEOE-UHFFFAOYSA-N
MW392.42 g/mol
LogP5.32
Rot. Bonds7

About 5-(2,3-difluoro-4-prop-2-enoxyphenyl)-2-[(2-fluoro-4-methylphenoxy)methyl]oxane

5-(2,3-difluoro-4-prop-2-enoxyphenyl)-2-[(2-fluoro-4-methylphenoxy)methyl]oxane (PubChem CID 58141301) has the molecular formula C22H23F3O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 5-(2,3-difluoro-4-prop-2-enoxyphenyl)-2-[(2-fluoro-4-methylphenoxy)methyl]oxane.

Molecular Properties

Compound Name5-(2,3-difluoro-4-prop-2-enoxyphenyl)-2-[(2-fluoro-4-methylphenoxy)methyl]oxane
PubChem CID58141301
Molecular FormulaC22H23F3O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Name5-(2,3-difluoro-4-prop-2-enoxyphenyl)-2-[(2-fluoro-4-methylphenoxy)methyl]oxane
SMILESC=CCOc1ccc(C2CCC(COc3ccc(C)cc3F)OC2)c(F)c1F
InChIInChI=1S/C22H23F3O3/c1-3-10-26-20-9-7-17(21(24)22(20)25)15-5-6-16(27-12-15)13-28-19-8-4-14(2)11-18(19)23/h3-4,7-9,11,15-16H,1,5-6,10,12-13H2,2H3
InChIKeyYOFIHCNEUINEOE-UHFFFAOYSA-N
XLogP5.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.42
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-ethoxy-2,3-difluorophenyl)-2-propyloxane
CID 20581932
1-(4-ethoxycyclohexyl)-2,3-difluoro-4-[[4-(3-fluoro-4-prop-2-enoxyphenyl)cyclohexyl]methoxy]benzene
CID 89429785
1-ethyl-2,3-difluoro-4-[4-[(2-fluoro-4-methylphenoxy)methyl]cyclohexyl]benzene
CID 58141026
1-(4-ethenylcyclohexyl)-2,3-difluoro-4-prop-2-enoxybenzene
CID 163533849
CID 88998295
CID 88998295
5-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]-2-hexyloxane
CID 126765439
1-[4-(4,4-dimethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enoxybenzene
CID 126759194
2-[2-(4-ethenyl-2-fluorophenyl)ethyl]-5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxane
CID 58535642
1-but-3-enoxy-2,3-difluoro-4-[4-[2-(2-fluoro-4-methylphenyl)ethynyl]cyclohexyl]benzene
CID 58140572
2-[[4-[4-[2,3-difluoro-4-(oxiran-2-yl)phenyl]phenyl]-2-fluorophenoxy]methyl]-5-methyloxane
CID 89045959
2-ethenyl-5-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]oxane
CID 58021340
2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 134358467

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluoro-4-prop-2-enoxyphenyl)-2-[(2-fluoro-4-methylphenoxy)methyl]oxane?
The IUPAC name of 5-(2,3-difluoro-4-prop-2-enoxyphenyl)-2-[(2-fluoro-4-methylphenoxy)methyl]oxane (CID 58141301) is 5-(2,3-difluoro-4-prop-2-enoxyphenyl)-2-[(2-fluoro-4-methylphenoxy)methyl]oxane.
What is the SMILES notation for 5-(2,3-difluoro-4-prop-2-enoxyphenyl)-2-[(2-fluoro-4-methylphenoxy)methyl]oxane?
The canonical SMILES for 5-(2,3-difluoro-4-prop-2-enoxyphenyl)-2-[(2-fluoro-4-methylphenoxy)methyl]oxane is C=CCOc1ccc(C2CCC(COc3ccc(C)cc3F)OC2)c(F)c1F.
What is the InChIKey of 5-(2,3-difluoro-4-prop-2-enoxyphenyl)-2-[(2-fluoro-4-methylphenoxy)methyl]oxane?
The InChIKey is YOFIHCNEUINEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3O3/c1-3-10-26-20-9-7-17(21(24)22(20)25)15-5-6-16(27-12-15)13-28-19-8-4-14(2)11-18(19)23/h3-4,7-9,11,15-16H,1,5-6,10,12-13H2,2H3.
What are the key properties of 5-(2,3-difluoro-4-prop-2-enoxyphenyl)-2-[(2-fluoro-4-methylphenoxy)methyl]oxane?
5-(2,3-difluoro-4-prop-2-enoxyphenyl)-2-[(2-fluoro-4-methylphenoxy)methyl]oxane has a molecular weight of 392.42 g/mol, XLogP of 5.32, 7 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-prop-2-enoxyphenyl)-2-[(2-fluoro-4-methylphenoxy)methyl]oxane is sourced from PubChem (CID 58141301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).