(E)-3-[5-(2,4-difluorophenyl)furan-2-yl]prop-2-enoate

C13H7F2O3- — CID 7164671

IUPAC(E)-3-[5-(2,4-difluorophenyl)furan-2-yl]prop-2-enoate
SMILESO=C([O-])/C=C/c1ccc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C13H8F2O3/c14-8-1-4-10(11(15)7-8)12-5-2-9(18-12)3-6-13(16)17/h1-7H,(H,16,17)/p-1/b6-3+
InChIKeyPUFRUEMJSQVGSX-ZZXKWVIFSA-M
MW249.19 g/mol
LogP1.99
Rot. Bonds3

About (E)-3-[5-(2,4-difluorophenyl)furan-2-yl]prop-2-enoate

(E)-3-[5-(2,4-difluorophenyl)furan-2-yl]prop-2-enoate (PubChem CID 7164671) has the molecular formula C13H7F2O3- and a molecular weight of 249.19 g/mol. Its IUPAC name is (E)-3-[5-(2,4-difluorophenyl)furan-2-yl]prop-2-enoate.

Molecular Properties

Compound Name(E)-3-[5-(2,4-difluorophenyl)furan-2-yl]prop-2-enoate
PubChem CID7164671
Molecular FormulaC13H7F2O3-
Molecular Weight249.19 g/mol
Exact Mass249.04
IUPAC Name(E)-3-[5-(2,4-difluorophenyl)furan-2-yl]prop-2-enoate
SMILESO=C([O-])/C=C/c1ccc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C13H8F2O3/c14-8-1-4-10(11(15)7-8)12-5-2-9(18-12)3-6-13(16)17/h1-7H,(H,16,17)/p-1/b6-3+
InChIKeyPUFRUEMJSQVGSX-ZZXKWVIFSA-M
XLogP1.99
TPSA53.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(4-bromo-2-fluorophenyl)furan-2-yl]prop-2-enamide
CID 53395708
(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoate
CID 7174466
5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 21208584
5-(2,4-difluorophenyl)furan-2-carboxamide
CID 82114716
5-(2,4-difluorophenyl)furan-2-carbonyl chloride
CID 82117761
5-[4-(2,4-difluorophenyl)phenyl]furan-2-carbaldehyde
CID 169334405
ethyl (Z)-2-cyano-3-[5-(2,4-difluorophenyl)furan-2-yl]prop-2-enoate
CID 119056487
(E)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoate
CID 7128748
(E)-4-[5-(2,4-dichlorophenyl)furan-2-yl]but-3-en-2-one
CID 50884913
2-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one
CID 700355
(E)-3-[5-(2-bromo-4-chlorophenyl)furan-2-yl]prop-2-enoyl chloride
CID 28694182
5-(2-fluoro-4-methylsulfonylphenyl)furan-2-carbaldehyde
CID 169332145

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(2,4-difluorophenyl)furan-2-yl]prop-2-enoate?
The IUPAC name of (E)-3-[5-(2,4-difluorophenyl)furan-2-yl]prop-2-enoate (CID 7164671) is (E)-3-[5-(2,4-difluorophenyl)furan-2-yl]prop-2-enoate.
What is the SMILES notation for (E)-3-[5-(2,4-difluorophenyl)furan-2-yl]prop-2-enoate?
The canonical SMILES for (E)-3-[5-(2,4-difluorophenyl)furan-2-yl]prop-2-enoate is O=C([O-])/C=C/c1ccc(-c2ccc(F)cc2F)o1.
What is the InChIKey of (E)-3-[5-(2,4-difluorophenyl)furan-2-yl]prop-2-enoate?
The InChIKey is PUFRUEMJSQVGSX-ZZXKWVIFSA-M. The full InChI is InChI=1S/C13H8F2O3/c14-8-1-4-10(11(15)7-8)12-5-2-9(18-12)3-6-13(16)17/h1-7H,(H,16,17)/p-1/b6-3+.
What are the key properties of (E)-3-[5-(2,4-difluorophenyl)furan-2-yl]prop-2-enoate?
(E)-3-[5-(2,4-difluorophenyl)furan-2-yl]prop-2-enoate has a molecular weight of 249.19 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(2,4-difluorophenyl)furan-2-yl]prop-2-enoate is sourced from PubChem (CID 7164671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).