[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl]methyl prop-2-enoate

C19H12F4O4 — CID 146531862

IUPAC[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccc(-c2ccc(OC(=O)C=C)c(F)c2F)c(F)c1F
InChIInChI=1S/C19H12F4O4/c1-3-14(24)26-9-10-5-6-11(17(21)16(10)20)12-7-8-13(19(23)18(12)22)27-15(25)4-2/h3-8H,1-2,9H2
InChIKeyKJVCTZVJBRUONB-UHFFFAOYSA-N
MW380.29 g/mol
LogP4.23
Rot. Bonds6

About [4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl]methyl prop-2-enoate

[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl]methyl prop-2-enoate (PubChem CID 146531862) has the molecular formula C19H12F4O4 and a molecular weight of 380.29 g/mol. Its IUPAC name is [4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl]methyl prop-2-enoate.

Molecular Properties

Compound Name[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl]methyl prop-2-enoate
PubChem CID146531862
Molecular FormulaC19H12F4O4
Molecular Weight380.29 g/mol
Exact Mass380.07
IUPAC Name[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccc(-c2ccc(OC(=O)C=C)c(F)c2F)c(F)c1F
InChIInChI=1S/C19H12F4O4/c1-3-14(24)26-9-10-5-6-11(17(21)16(10)20)12-7-8-13(19(23)18(12)22)27-15(25)4-2/h3-8H,1-2,9H2
InChIKeyKJVCTZVJBRUONB-UHFFFAOYSA-N
XLogP4.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2,3-difluoro-4-(2-fluorophenyl)phenyl] prop-2-enoate
CID 138480747
[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl] prop-2-enoate
CID 146247306
2-[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)phenoxy]ethenyl prop-2-enoate
CID 123643106
[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)cyclohexa-1,3-dien-1-yl] prop-2-enoate
CID 122433548
[2,3-difluoro-4-[6-(2-methylprop-2-enoyloxymethoxy)naphthalen-2-yl]phenyl] 4-(prop-2-enoyloxymethyl)benzoate
CID 58471450
(2-fluorophenyl)methyl prop-2-enoate
CID 66714923
[6-(prop-2-enoyloxymethyl)naphthalen-2-yl] 2,3-difluoro-4-(2-methylprop-2-enoyloxymethyl)benzoate
CID 58471503
(2,3,6-trifluorophenyl)methyl prop-2-enoate
CID 102015327
[4-[2,3-difluoro-4-(1-hydroxyprop-2-enoxy)phenyl]-3-fluorophenyl] prop-2-enoate
CID 126518140
[4-[2,3-difluoro-4-[6-(prop-2-enoyloxymethoxy)naphthalen-2-yl]phenyl]phenyl] 3-[3,4-bis(prop-2-enoyloxymethoxy)phenyl]propanoate
CID 121338790
[2-fluoro-4-(2-fluoro-4-hydroxyphenyl)phenyl] prop-2-enoate
CID 121333283
[2-(aminomethyl)phenyl]methyl prop-2-enoate
CID 174585354

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl]methyl prop-2-enoate?
The IUPAC name of [4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl]methyl prop-2-enoate (CID 146531862) is [4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl]methyl prop-2-enoate.
What is the SMILES notation for [4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl]methyl prop-2-enoate?
The canonical SMILES for [4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl]methyl prop-2-enoate is C=CC(=O)OCc1ccc(-c2ccc(OC(=O)C=C)c(F)c2F)c(F)c1F.
What is the InChIKey of [4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl]methyl prop-2-enoate?
The InChIKey is KJVCTZVJBRUONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4O4/c1-3-14(24)26-9-10-5-6-11(17(21)16(10)20)12-7-8-13(19(23)18(12)22)27-15(25)4-2/h3-8H,1-2,9H2.
What are the key properties of [4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl]methyl prop-2-enoate?
[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl]methyl prop-2-enoate has a molecular weight of 380.29 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl]methyl prop-2-enoate is sourced from PubChem (CID 146531862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).