5-amino-6-fluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylic acid

C11H10FNO3 — CID 118413465

IUPAC5-amino-6-fluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylic acid
SMILESNc1c(F)cc2c(c1C(=O)O)OCC1CC21
InChIInChI=1S/C11H10FNO3/c12-7-2-6-5-1-4(5)3-16-10(6)8(9(7)13)11(14)15/h2,4-5H,1,3,13H2,(H,14,15)
InChIKeyRNKQGGXOWIJIII-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.60
Rot. Bonds1

About 5-amino-6-fluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylic acid

5-amino-6-fluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylic acid (PubChem CID 118413465) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is 5-amino-6-fluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-fluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylic acid
PubChem CID118413465
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name5-amino-6-fluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylic acid
SMILESNc1c(F)cc2c(c1C(=O)O)OCC1CC21
InChIInChI=1S/C11H10FNO3/c12-7-2-6-5-1-4(5)3-16-10(6)8(9(7)13)11(14)15/h2,4-5H,1,3,13H2,(H,14,15)
InChIKeyRNKQGGXOWIJIII-UHFFFAOYSA-N
XLogP1.60
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-6-fluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylic acid 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-amino-6-fluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylic acid?
The IUPAC name of 5-amino-6-fluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylic acid (CID 118413465) is 5-amino-6-fluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylic acid.
What is the SMILES notation for 5-amino-6-fluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylic acid?
The canonical SMILES for 5-amino-6-fluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylic acid is Nc1c(F)cc2c(c1C(=O)O)OCC1CC21.
What is the InChIKey of 5-amino-6-fluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylic acid?
The InChIKey is RNKQGGXOWIJIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c12-7-2-6-5-1-4(5)3-16-10(6)8(9(7)13)11(14)15/h2,4-5H,1,3,13H2,(H,14,15).
What are the key properties of 5-amino-6-fluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylic acid?
5-amino-6-fluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylic acid has a molecular weight of 223.20 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-fluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylic acid is sourced from PubChem (CID 118413465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).