fluoro (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate

C11H9FO3 — CID 143200425

IUPACfluoro (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
SMILESO=C(/C=C/c1ccc2c(c1)CCO2)OF
InChIInChI=1S/C11H9FO3/c12-15-11(13)4-2-8-1-3-10-9(7-8)5-6-14-10/h1-4,7H,5-6H2/b4-2+
InChIKeyFYSGZHSBJMNSKB-DUXPYHPUSA-N
MW208.19 g/mol
LogP2.06
Rot. Bonds2

About fluoro (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate

fluoro (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate (PubChem CID 143200425) has the molecular formula C11H9FO3 and a molecular weight of 208.19 g/mol. Its IUPAC name is fluoro (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate.

Molecular Properties

Compound Namefluoro (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
PubChem CID143200425
Molecular FormulaC11H9FO3
Molecular Weight208.19 g/mol
Exact Mass208.05
IUPAC Namefluoro (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
SMILESO=C(/C=C/c1ccc2c(c1)CCO2)OF
InChIInChI=1S/C11H9FO3/c12-15-11(13)4-2-8-1-3-10-9(7-8)5-6-14-10/h1-4,7H,5-6H2/b4-2+
InChIKeyFYSGZHSBJMNSKB-DUXPYHPUSA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 52.06
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-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 74868098
propyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
CID 112725026
(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenol
CID 90352085
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylprop-2-enamide
CID 17460201
2-(2,5-dioxoimidazolidin-1-yl)ethyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
CID 71897620
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 156783239
(E)-N-(2,2-difluoro-3-hydroxypropyl)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 104857759
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-4-ylprop-2-enamide
CID 39471751
methyl 2-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl-ethylamino]acetate
CID 76899075
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-hydroxy-2-methylpropan-2-yl)prop-2-enamide
CID 43500712
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-oxa-7-azaspiro[3.5]nonan-7-yl)prop-2-en-1-one
CID 126809497
ethyl 4-(2,3-dihydro-1-benzofuran-5-yl)but-3-enoate
CID 170796261

Frequently Asked Questions

What is the IUPAC name of fluoro (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate?
The IUPAC name of fluoro (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate (CID 143200425) is fluoro (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate.
What is the SMILES notation for fluoro (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate?
The canonical SMILES for fluoro (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate is O=C(/C=C/c1ccc2c(c1)CCO2)OF.
What is the InChIKey of fluoro (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate?
The InChIKey is FYSGZHSBJMNSKB-DUXPYHPUSA-N. The full InChI is InChI=1S/C11H9FO3/c12-15-11(13)4-2-8-1-3-10-9(7-8)5-6-14-10/h1-4,7H,5-6H2/b4-2+.
What are the key properties of fluoro (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate?
fluoro (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate has a molecular weight of 208.19 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate is sourced from PubChem (CID 143200425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).