ethyl 3-(5-fluoro-1-benzofuran-2-yl)propanoate

C13H13FO3 — CID 114732712

IUPACethyl 3-(5-fluoro-1-benzofuran-2-yl)propanoate
SMILESCCOC(=O)CCc1cc2cc(F)ccc2o1
InChIInChI=1S/C13H13FO3/c1-2-16-13(15)6-4-11-8-9-7-10(14)3-5-12(9)17-11/h3,5,7-8H,2,4,6H2,1H3
InChIKeyVECQNILFPVIUPY-UHFFFAOYSA-N
MW236.24 g/mol
LogP3.07
Rot. Bonds4

About ethyl 3-(5-fluoro-1-benzofuran-2-yl)propanoate

ethyl 3-(5-fluoro-1-benzofuran-2-yl)propanoate (PubChem CID 114732712) has the molecular formula C13H13FO3 and a molecular weight of 236.24 g/mol. Its IUPAC name is ethyl 3-(5-fluoro-1-benzofuran-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(5-fluoro-1-benzofuran-2-yl)propanoate
PubChem CID114732712
Molecular FormulaC13H13FO3
Molecular Weight236.24 g/mol
Exact Mass236.08
IUPAC Nameethyl 3-(5-fluoro-1-benzofuran-2-yl)propanoate
SMILESCCOC(=O)CCc1cc2cc(F)ccc2o1
InChIInChI=1S/C13H13FO3/c1-2-16-13(15)6-4-11-8-9-7-10(14)3-5-12(9)17-11/h3,5,7-8H,2,4,6H2,1H3
InChIKeyVECQNILFPVIUPY-UHFFFAOYSA-N
XLogP3.07
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(5-hydroxy-1-benzofuran-2-yl)propanoate
CID 23074286
diethyl 2-(5-fluoro-1-benzofuran-2-yl)propanedioate
CID 114732709
ethyl 2-(5-chloro-1-benzofuran-2-yl)acetate
CID 82645490
2,2-diethoxy-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114725706
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
ethyl 3-(3,5-difluorophenyl)propanoate
CID 15209345
N-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 114732869
ethyl 3-(3-amino-5-fluorophenyl)propanoate
CID 170909551
2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-one
CID 114726166
ethyl 3-(3-fluoro-5-methylphenyl)propanoate
CID 79018311
ethyl 3-[3-(3-ethoxy-3-oxopropyl)-5-[(4-fluorophenyl)methyl]phenyl]propanoate
CID 19962355
ethyl 3-(1-benzofuran-2-ylmethylamino)propanoate
CID 53397244

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-fluoro-1-benzofuran-2-yl)propanoate?
The IUPAC name of ethyl 3-(5-fluoro-1-benzofuran-2-yl)propanoate (CID 114732712) is ethyl 3-(5-fluoro-1-benzofuran-2-yl)propanoate.
What is the SMILES notation for ethyl 3-(5-fluoro-1-benzofuran-2-yl)propanoate?
The canonical SMILES for ethyl 3-(5-fluoro-1-benzofuran-2-yl)propanoate is CCOC(=O)CCc1cc2cc(F)ccc2o1.
What is the InChIKey of ethyl 3-(5-fluoro-1-benzofuran-2-yl)propanoate?
The InChIKey is VECQNILFPVIUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO3/c1-2-16-13(15)6-4-11-8-9-7-10(14)3-5-12(9)17-11/h3,5,7-8H,2,4,6H2,1H3.
What are the key properties of ethyl 3-(5-fluoro-1-benzofuran-2-yl)propanoate?
ethyl 3-(5-fluoro-1-benzofuran-2-yl)propanoate has a molecular weight of 236.24 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-fluoro-1-benzofuran-2-yl)propanoate is sourced from PubChem (CID 114732712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).