2-[1,7,8-trifluoro-6-(2-prop-2-enoyloxyethenoxy)naphthalen-2-yl]oxyethenyl prop-2-enoate

C20H13F3O6 — CID 123829646

IUPAC2-[1,7,8-trifluoro-6-(2-prop-2-enoyloxyethenoxy)naphthalen-2-yl]oxyethenyl prop-2-enoate
SMILESC=CC(=O)OC=COc1cc2ccc(OC=COC(=O)C=C)c(F)c2c(F)c1F
InChIInChI=1S/C20H13F3O6/c1-3-15(24)28-9-7-26-13-6-5-12-11-14(27-8-10-29-16(25)4-2)19(22)20(23)17(12)18(13)21/h3-11H,1-2H2
InChIKeyLAFWZRHMNLSCDF-UHFFFAOYSA-N
MW406.31 g/mol
LogP4.42
Rot. Bonds8

About 2-[1,7,8-trifluoro-6-(2-prop-2-enoyloxyethenoxy)naphthalen-2-yl]oxyethenyl prop-2-enoate

2-[1,7,8-trifluoro-6-(2-prop-2-enoyloxyethenoxy)naphthalen-2-yl]oxyethenyl prop-2-enoate (PubChem CID 123829646) has the molecular formula C20H13F3O6 and a molecular weight of 406.31 g/mol. Its IUPAC name is 2-[1,7,8-trifluoro-6-(2-prop-2-enoyloxyethenoxy)naphthalen-2-yl]oxyethenyl prop-2-enoate.

Molecular Properties

Compound Name2-[1,7,8-trifluoro-6-(2-prop-2-enoyloxyethenoxy)naphthalen-2-yl]oxyethenyl prop-2-enoate
PubChem CID123829646
Molecular FormulaC20H13F3O6
Molecular Weight406.31 g/mol
Exact Mass406.07
IUPAC Name2-[1,7,8-trifluoro-6-(2-prop-2-enoyloxyethenoxy)naphthalen-2-yl]oxyethenyl prop-2-enoate
SMILESC=CC(=O)OC=COc1cc2ccc(OC=COC(=O)C=C)c(F)c2c(F)c1F
InChIInChI=1S/C20H13F3O6/c1-3-15(24)28-9-7-26-13-6-5-12-11-14(27-8-10-29-16(25)4-2)19(22)20(23)17(12)18(13)21/h3-11H,1-2H2
InChIKeyLAFWZRHMNLSCDF-UHFFFAOYSA-N
XLogP4.42
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)phenoxy]ethenyl prop-2-enoate
CID 123643106
[(Z)-2-(2,3-difluoro-4-prop-2-enoyloxyphenoxy)ethenyl] 2-methylprop-2-enoate;[(Z)-2-(2,3-difluoro-4-prop-2-enoyloxyphenoxy)ethenyl] prop-2-enoate;[(Z)-2-(2-fluoro-4-prop-2-enoyloxyphenoxy)ethenyl] 2-methylprop-2-enoate;[(Z)-2-(3-fluoro-4-prop-2-enoyloxyphenoxy)ethenyl] 2-methylprop-2-enoate;[(Z)-2-(2-fluoro-4-prop-2-enoyloxyphenoxy)ethenyl] prop-2-enoate;[(Z)-2-(3-fluoro-4-prop-2-enoyloxyphenoxy)ethenyl] prop-2-enoate;[(Z)-2-(2-methyl-4-prop-2-enoyloxyphenoxy)ethenyl] 2-methylprop-2-enoate;[(Z)-2-(2-methyl-4-prop-2-enoyloxyphenoxy)ethenyl] prop-2-enoate;[(Z)-2-(4-prop-2-enoyloxyphenoxy)ethenyl] 2-methylprop-2-enoate;[(Z)-2-(4-prop-2-enoyloxyphenoxy)ethenyl] prop-2-enoate;[(Z)-2-[4-prop-2-enoyloxy-3-(trifluoromethyl)phenoxy]ethenyl] 2-methylprop-2-enoate;[(Z)-2-[4-prop-2-enoyloxy-3-(trifluoromethyl)phenoxy]ethenyl] prop-2-enoate
CID 161217292
2-[3-fluoro-4-[4-[3-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenyl]phenoxy]ethenyl prop-2-enoate
CID 123254535
2-[2-fluoro-4-[4-[2-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123353199
2-[4-[4-(4-prop-2-enoyloxyphenyl)phenyl]phenoxy]ethenyl prop-2-enoate
CID 123925942
2-[4-[4-(2-fluoro-4-prop-2-enoyloxyphenyl)phenyl]phenoxy]ethenyl prop-2-enoate
CID 123487127
2-[4-[2-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenoxy]ethenyl prop-2-enoate
CID 123899301
2-[4-[4-[2-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123969143
2-[4-[2-[3-fluoro-4-[2-[4-(2-prop-2-enoyloxyethenoxy)phenyl]ethenyl]phenyl]ethenyl]phenoxy]ethenyl prop-2-enoate
CID 123642028
[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl]methyl prop-2-enoate
CID 146531862
[2,3-difluoro-4-(2-fluorophenyl)phenyl] prop-2-enoate
CID 138480747
[4-fluoro-3,6,7-tri(prop-2-enoyloxy)naphthalen-2-yl] prop-2-enoate
CID 118013890

Frequently Asked Questions

What is the IUPAC name of 2-[1,7,8-trifluoro-6-(2-prop-2-enoyloxyethenoxy)naphthalen-2-yl]oxyethenyl prop-2-enoate?
The IUPAC name of 2-[1,7,8-trifluoro-6-(2-prop-2-enoyloxyethenoxy)naphthalen-2-yl]oxyethenyl prop-2-enoate (CID 123829646) is 2-[1,7,8-trifluoro-6-(2-prop-2-enoyloxyethenoxy)naphthalen-2-yl]oxyethenyl prop-2-enoate.
What is the SMILES notation for 2-[1,7,8-trifluoro-6-(2-prop-2-enoyloxyethenoxy)naphthalen-2-yl]oxyethenyl prop-2-enoate?
The canonical SMILES for 2-[1,7,8-trifluoro-6-(2-prop-2-enoyloxyethenoxy)naphthalen-2-yl]oxyethenyl prop-2-enoate is C=CC(=O)OC=COc1cc2ccc(OC=COC(=O)C=C)c(F)c2c(F)c1F.
What is the InChIKey of 2-[1,7,8-trifluoro-6-(2-prop-2-enoyloxyethenoxy)naphthalen-2-yl]oxyethenyl prop-2-enoate?
The InChIKey is LAFWZRHMNLSCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3O6/c1-3-15(24)28-9-7-26-13-6-5-12-11-14(27-8-10-29-16(25)4-2)19(22)20(23)17(12)18(13)21/h3-11H,1-2H2.
What are the key properties of 2-[1,7,8-trifluoro-6-(2-prop-2-enoyloxyethenoxy)naphthalen-2-yl]oxyethenyl prop-2-enoate?
2-[1,7,8-trifluoro-6-(2-prop-2-enoyloxyethenoxy)naphthalen-2-yl]oxyethenyl prop-2-enoate has a molecular weight of 406.31 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,7,8-trifluoro-6-(2-prop-2-enoyloxyethenoxy)naphthalen-2-yl]oxyethenyl prop-2-enoate is sourced from PubChem (CID 123829646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).