2-benzyl-7-fluoro-1-benzofuran-6-carbaldehyde

C16H11FO2 — CID 177267063

IUPAC2-benzyl-7-fluoro-1-benzofuran-6-carbaldehyde
SMILESO=Cc1ccc2cc(Cc3ccccc3)oc2c1F
InChIInChI=1S/C16H11FO2/c17-15-13(10-18)7-6-12-9-14(19-16(12)15)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2
InChIKeyUVTJGXLFKRHNSI-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.98
Rot. Bonds3

About 2-benzyl-7-fluoro-1-benzofuran-6-carbaldehyde

2-benzyl-7-fluoro-1-benzofuran-6-carbaldehyde (PubChem CID 177267063) has the molecular formula C16H11FO2 and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-benzyl-7-fluoro-1-benzofuran-6-carbaldehyde.

Molecular Properties

Compound Name2-benzyl-7-fluoro-1-benzofuran-6-carbaldehyde
PubChem CID177267063
Molecular FormulaC16H11FO2
Molecular Weight254.26 g/mol
Exact Mass254.07
IUPAC Name2-benzyl-7-fluoro-1-benzofuran-6-carbaldehyde
SMILESO=Cc1ccc2cc(Cc3ccccc3)oc2c1F
InChIInChI=1S/C16H11FO2/c17-15-13(10-18)7-6-12-9-14(19-16(12)15)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2
InChIKeyUVTJGXLFKRHNSI-UHFFFAOYSA-N
XLogP3.98
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.98
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-benzyl-7-fluoro-1-benzofuran-6-carbaldehyde?
The IUPAC name of 2-benzyl-7-fluoro-1-benzofuran-6-carbaldehyde (CID 177267063) is 2-benzyl-7-fluoro-1-benzofuran-6-carbaldehyde.
What is the SMILES notation for 2-benzyl-7-fluoro-1-benzofuran-6-carbaldehyde?
The canonical SMILES for 2-benzyl-7-fluoro-1-benzofuran-6-carbaldehyde is O=Cc1ccc2cc(Cc3ccccc3)oc2c1F.
What is the InChIKey of 2-benzyl-7-fluoro-1-benzofuran-6-carbaldehyde?
The InChIKey is UVTJGXLFKRHNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO2/c17-15-13(10-18)7-6-12-9-14(19-16(12)15)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2.
What are the key properties of 2-benzyl-7-fluoro-1-benzofuran-6-carbaldehyde?
2-benzyl-7-fluoro-1-benzofuran-6-carbaldehyde has a molecular weight of 254.26 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7-fluoro-1-benzofuran-6-carbaldehyde is sourced from PubChem (CID 177267063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).