5-[5-(trifluoromethyl)tetrazol-1-yl]-2,3-dihydro-1-benzofuran-7-carbaldehyde

C11H7F3N4O2 — CID 87915856

IUPAC5-[5-(trifluoromethyl)tetrazol-1-yl]-2,3-dihydro-1-benzofuran-7-carbaldehyde
SMILESO=Cc1cc(-n2nnnc2C(F)(F)F)cc2c1OCC2
InChIInChI=1S/C11H7F3N4O2/c12-11(13,14)10-15-16-17-18(10)8-3-6-1-2-20-9(6)7(4-8)5-19/h3-5H,1-2H2
InChIKeyAIYPBDAYZVJGOI-UHFFFAOYSA-N
MW284.20 g/mol
LogP1.43
Rot. Bonds2

About 5-[5-(trifluoromethyl)tetrazol-1-yl]-2,3-dihydro-1-benzofuran-7-carbaldehyde

5-[5-(trifluoromethyl)tetrazol-1-yl]-2,3-dihydro-1-benzofuran-7-carbaldehyde (PubChem CID 87915856) has the molecular formula C11H7F3N4O2 and a molecular weight of 284.20 g/mol. Its IUPAC name is 5-[5-(trifluoromethyl)tetrazol-1-yl]-2,3-dihydro-1-benzofuran-7-carbaldehyde.

Molecular Properties

Compound Name5-[5-(trifluoromethyl)tetrazol-1-yl]-2,3-dihydro-1-benzofuran-7-carbaldehyde
PubChem CID87915856
Molecular FormulaC11H7F3N4O2
Molecular Weight284.20 g/mol
Exact Mass284.05
IUPAC Name5-[5-(trifluoromethyl)tetrazol-1-yl]-2,3-dihydro-1-benzofuran-7-carbaldehyde
SMILESO=Cc1cc(-n2nnnc2C(F)(F)F)cc2c1OCC2
InChIInChI=1S/C11H7F3N4O2/c12-11(13,14)10-15-16-17-18(10)8-3-6-1-2-20-9(6)7(4-8)5-19/h3-5H,1-2H2
InChIKeyAIYPBDAYZVJGOI-UHFFFAOYSA-N
XLogP1.43
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[5-(trifluoromethyl)tetrazol-1-yl]-2,3-dihydro-1-benzofuran-7-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-(trifluoromethyl)tetrazol-1-yl]-2,3-dihydro-1-benzofuran-7-carbaldehyde?
The IUPAC name of 5-[5-(trifluoromethyl)tetrazol-1-yl]-2,3-dihydro-1-benzofuran-7-carbaldehyde (CID 87915856) is 5-[5-(trifluoromethyl)tetrazol-1-yl]-2,3-dihydro-1-benzofuran-7-carbaldehyde.
What is the SMILES notation for 5-[5-(trifluoromethyl)tetrazol-1-yl]-2,3-dihydro-1-benzofuran-7-carbaldehyde?
The canonical SMILES for 5-[5-(trifluoromethyl)tetrazol-1-yl]-2,3-dihydro-1-benzofuran-7-carbaldehyde is O=Cc1cc(-n2nnnc2C(F)(F)F)cc2c1OCC2.
What is the InChIKey of 5-[5-(trifluoromethyl)tetrazol-1-yl]-2,3-dihydro-1-benzofuran-7-carbaldehyde?
The InChIKey is AIYPBDAYZVJGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N4O2/c12-11(13,14)10-15-16-17-18(10)8-3-6-1-2-20-9(6)7(4-8)5-19/h3-5H,1-2H2.
What are the key properties of 5-[5-(trifluoromethyl)tetrazol-1-yl]-2,3-dihydro-1-benzofuran-7-carbaldehyde?
5-[5-(trifluoromethyl)tetrazol-1-yl]-2,3-dihydro-1-benzofuran-7-carbaldehyde has a molecular weight of 284.20 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(trifluoromethyl)tetrazol-1-yl]-2,3-dihydro-1-benzofuran-7-carbaldehyde is sourced from PubChem (CID 87915856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).