fluoro 3-formyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate

C10H10FNO3 — CID 144728283

IUPACfluoro 3-formyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate
SMILESO=Cc1[nH]c(C(=O)OF)c2c1CCCC2
InChIInChI=1S/C10H10FNO3/c11-15-10(14)9-7-4-2-1-3-6(7)8(5-13)12-9/h5,12H,1-4H2
InChIKeyIGEIJOUDQSNEAO-UHFFFAOYSA-N
MW211.19 g/mol
LogP1.75
Rot. Bonds2

About fluoro 3-formyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate

fluoro 3-formyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate (PubChem CID 144728283) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is fluoro 3-formyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate.

Molecular Properties

Compound Namefluoro 3-formyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate
PubChem CID144728283
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Namefluoro 3-formyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate
SMILESO=Cc1[nH]c(C(=O)OF)c2c1CCCC2
InChIInChI=1S/C10H10FNO3/c11-15-10(14)9-7-4-2-1-3-6(7)8(5-13)12-9/h5,12H,1-4H2
InChIKeyIGEIJOUDQSNEAO-UHFFFAOYSA-N
XLogP1.75
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze fluoro 3-formyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate 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 fluoro 3-formyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate?
The IUPAC name of fluoro 3-formyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate (CID 144728283) is fluoro 3-formyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate.
What is the SMILES notation for fluoro 3-formyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate?
The canonical SMILES for fluoro 3-formyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate is O=Cc1[nH]c(C(=O)OF)c2c1CCCC2.
What is the InChIKey of fluoro 3-formyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate?
The InChIKey is IGEIJOUDQSNEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c11-15-10(14)9-7-4-2-1-3-6(7)8(5-13)12-9/h5,12H,1-4H2.
What are the key properties of fluoro 3-formyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate?
fluoro 3-formyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate has a molecular weight of 211.19 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3-formyl-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate is sourced from PubChem (CID 144728283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).