[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl] prop-2-enoate

C18H13F3O3 — CID 146247306

IUPAC[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl] prop-2-enoate
SMILESC=CCOc1ccc(-c2ccc(OC(=O)C=C)c(F)c2F)c(F)c1
InChIInChI=1S/C18H13F3O3/c1-3-9-23-11-5-6-12(14(19)10-11)13-7-8-15(18(21)17(13)20)24-16(22)4-2/h3-8,10H,1-2,9H2
InChIKeyJUOMXHQJVCUGQB-UHFFFAOYSA-N
MW334.29 g/mol
LogP4.43
Rot. Bonds6

About [2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl] prop-2-enoate

[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl] prop-2-enoate (PubChem CID 146247306) has the molecular formula C18H13F3O3 and a molecular weight of 334.29 g/mol. Its IUPAC name is [2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl] prop-2-enoate.

Molecular Properties

Compound Name[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl] prop-2-enoate
PubChem CID146247306
Molecular FormulaC18H13F3O3
Molecular Weight334.29 g/mol
Exact Mass334.08
IUPAC Name[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl] prop-2-enoate
SMILESC=CCOc1ccc(-c2ccc(OC(=O)C=C)c(F)c2F)c(F)c1
InChIInChI=1S/C18H13F3O3/c1-3-9-23-11-5-6-12(14(19)10-11)13-7-8-15(18(21)17(13)20)24-16(22)4-2/h3-8,10H,1-2,9H2
InChIKeyJUOMXHQJVCUGQB-UHFFFAOYSA-N
XLogP4.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

1-ethoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene
CID 118191513
[2,3-difluoro-4-(2-fluorophenyl)phenyl] prop-2-enoate
CID 138480747
1-butoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene
CID 118191516
[4-[2,3-difluoro-4-(1-hydroxyprop-2-enoxy)phenyl]-3-fluorophenyl] prop-2-enoate
CID 126518140
[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl]methyl prop-2-enoate
CID 146531862
(2-fluoro-4-prop-2-enoxyphenyl) 5,6-difluoronaphthalene-2-carboxylate
CID 139854167
[4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 67892187
2-[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)phenoxy]ethenyl prop-2-enoate
CID 123643106
(2,5-diethoxyphenyl) prop-2-enoate
CID 174805229
[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)cyclohexa-1,3-dien-1-yl] prop-2-enoate
CID 122433548
3-[6-[2-fluoro-4-(3-prop-2-enylperoxypropoxy)phenyl]naphthalen-2-yl]oxypropyl prop-2-enoate
CID 54164163
[2,3-difluoro-4-(2-fluoro-4-formyloxyphenyl)phenyl] 4-methylpent-4-enoate
CID 146330916

Frequently Asked Questions

What is the IUPAC name of [2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl] prop-2-enoate?
The IUPAC name of [2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl] prop-2-enoate (CID 146247306) is [2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl] prop-2-enoate.
What is the SMILES notation for [2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl] prop-2-enoate?
The canonical SMILES for [2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl] prop-2-enoate is C=CCOc1ccc(-c2ccc(OC(=O)C=C)c(F)c2F)c(F)c1.
What is the InChIKey of [2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl] prop-2-enoate?
The InChIKey is JUOMXHQJVCUGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3O3/c1-3-9-23-11-5-6-12(14(19)10-11)13-7-8-15(18(21)17(13)20)24-16(22)4-2/h3-8,10H,1-2,9H2.
What are the key properties of [2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl] prop-2-enoate?
[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl] prop-2-enoate has a molecular weight of 334.29 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl] prop-2-enoate is sourced from PubChem (CID 146247306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).