2-(7-fluoro-1-benzofuran-2-yl)ethyl formate

C11H9FO3 — CID 91524112

IUPAC2-(7-fluoro-1-benzofuran-2-yl)ethyl formate
SMILESO=COCCc1cc2cccc(F)c2o1
InChIInChI=1S/C11H9FO3/c12-10-3-1-2-8-6-9(15-11(8)10)4-5-14-7-13/h1-3,6-7H,4-5H2
InChIKeyYNRCSLSQRWOLKQ-UHFFFAOYSA-N
MW208.19 g/mol
LogP2.29
Rot. Bonds4

About 2-(7-fluoro-1-benzofuran-2-yl)ethyl formate

2-(7-fluoro-1-benzofuran-2-yl)ethyl formate (PubChem CID 91524112) has the molecular formula C11H9FO3 and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-(7-fluoro-1-benzofuran-2-yl)ethyl formate.

Molecular Properties

Compound Name2-(7-fluoro-1-benzofuran-2-yl)ethyl formate
PubChem CID91524112
Molecular FormulaC11H9FO3
Molecular Weight208.19 g/mol
Exact Mass208.05
IUPAC Name2-(7-fluoro-1-benzofuran-2-yl)ethyl formate
SMILESO=COCCc1cc2cccc(F)c2o1
InChIInChI=1S/C11H9FO3/c12-10-3-1-2-8-6-9(15-11(8)10)4-5-14-7-13/h1-3,6-7H,4-5H2
InChIKeyYNRCSLSQRWOLKQ-UHFFFAOYSA-N
XLogP2.29
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-1-benzofuran-2-yl)ethyl formate?
The IUPAC name of 2-(7-fluoro-1-benzofuran-2-yl)ethyl formate (CID 91524112) is 2-(7-fluoro-1-benzofuran-2-yl)ethyl formate.
What is the SMILES notation for 2-(7-fluoro-1-benzofuran-2-yl)ethyl formate?
The canonical SMILES for 2-(7-fluoro-1-benzofuran-2-yl)ethyl formate is O=COCCc1cc2cccc(F)c2o1.
What is the InChIKey of 2-(7-fluoro-1-benzofuran-2-yl)ethyl formate?
The InChIKey is YNRCSLSQRWOLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO3/c12-10-3-1-2-8-6-9(15-11(8)10)4-5-14-7-13/h1-3,6-7H,4-5H2.
What are the key properties of 2-(7-fluoro-1-benzofuran-2-yl)ethyl formate?
2-(7-fluoro-1-benzofuran-2-yl)ethyl formate has a molecular weight of 208.19 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-1-benzofuran-2-yl)ethyl formate is sourced from PubChem (CID 91524112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).