1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid

C10H10FNO2 — CID 55295672

IUPAC1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid
SMILESNC1(C(=O)O)CCc2c(F)cccc21
InChIInChI=1S/C10H10FNO2/c11-8-3-1-2-7-6(8)4-5-10(7,12)9(13)14/h1-3H,4-5,12H2,(H,13,14)
InChIKeyMPLCCXVYNVJNTL-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.01
Rot. Bonds1

About 1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid

1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid (PubChem CID 55295672) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid
PubChem CID55295672
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid
SMILESNC1(C(=O)O)CCc2c(F)cccc21
InChIInChI=1S/C10H10FNO2/c11-8-3-1-2-7-6(8)4-5-10(7,12)9(13)14/h1-3H,4-5,12H2,(H,13,14)
InChIKeyMPLCCXVYNVJNTL-UHFFFAOYSA-N
XLogP1.01
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-amino-4-fluoro-2,3-dihydroindene-1-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 1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid (CID 55295672) is 1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid is NC1(C(=O)O)CCc2c(F)cccc21.
What is the InChIKey of 1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is MPLCCXVYNVJNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c11-8-3-1-2-7-6(8)4-5-10(7,12)9(13)14/h1-3H,4-5,12H2,(H,13,14).
What are the key properties of 1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid?
1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 195.19 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 55295672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).