2-ethyl-6-fluoro-1-benzofuran-3-carbaldehyde

C11H9FO2 — CID 139644441

IUPAC2-ethyl-6-fluoro-1-benzofuran-3-carbaldehyde
SMILESCCc1oc2cc(F)ccc2c1C=O
InChIInChI=1S/C11H9FO2/c1-2-10-9(6-13)8-4-3-7(12)5-11(8)14-10/h3-6H,2H2,1H3
InChIKeyRYAWIZMEHDUPNL-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.95
Rot. Bonds2

About 2-ethyl-6-fluoro-1-benzofuran-3-carbaldehyde

2-ethyl-6-fluoro-1-benzofuran-3-carbaldehyde (PubChem CID 139644441) has the molecular formula C11H9FO2 and a molecular weight of 192.19 g/mol. Its IUPAC name is 2-ethyl-6-fluoro-1-benzofuran-3-carbaldehyde.

Molecular Properties

Compound Name2-ethyl-6-fluoro-1-benzofuran-3-carbaldehyde
PubChem CID139644441
Molecular FormulaC11H9FO2
Molecular Weight192.19 g/mol
Exact Mass192.06
IUPAC Name2-ethyl-6-fluoro-1-benzofuran-3-carbaldehyde
SMILESCCc1oc2cc(F)ccc2c1C=O
InChIInChI=1S/C11H9FO2/c1-2-10-9(6-13)8-4-3-7(12)5-11(8)14-10/h3-6H,2H2,1H3
InChIKeyRYAWIZMEHDUPNL-UHFFFAOYSA-N
XLogP2.95
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-fluoro-1-benzofuran-3-carbaldehyde?
The IUPAC name of 2-ethyl-6-fluoro-1-benzofuran-3-carbaldehyde (CID 139644441) is 2-ethyl-6-fluoro-1-benzofuran-3-carbaldehyde.
What is the SMILES notation for 2-ethyl-6-fluoro-1-benzofuran-3-carbaldehyde?
The canonical SMILES for 2-ethyl-6-fluoro-1-benzofuran-3-carbaldehyde is CCc1oc2cc(F)ccc2c1C=O.
What is the InChIKey of 2-ethyl-6-fluoro-1-benzofuran-3-carbaldehyde?
The InChIKey is RYAWIZMEHDUPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO2/c1-2-10-9(6-13)8-4-3-7(12)5-11(8)14-10/h3-6H,2H2,1H3.
What are the key properties of 2-ethyl-6-fluoro-1-benzofuran-3-carbaldehyde?
2-ethyl-6-fluoro-1-benzofuran-3-carbaldehyde has a molecular weight of 192.19 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-fluoro-1-benzofuran-3-carbaldehyde is sourced from PubChem (CID 139644441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).