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

C10H10FNO2 — CID 174904989

IUPAC3-amino-1-fluoro-2,3-dihydroindene-1-carboxylic acid
SMILESNC1CC(F)(C(=O)O)c2ccccc21
InChIInChI=1S/C10H10FNO2/c11-10(9(13)14)5-8(12)6-3-1-2-4-7(6)10/h1-4,8H,5,12H2,(H,13,14)
InChIKeySBJQTAYATODRJP-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.34
Rot. Bonds1

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

3-amino-1-fluoro-2,3-dihydroindene-1-carboxylic acid (PubChem CID 174904989) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 3-amino-1-fluoro-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-fluoro-2,3-dihydroindene-1-carboxylic acid
PubChem CID174904989
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name3-amino-1-fluoro-2,3-dihydroindene-1-carboxylic acid
SMILESNC1CC(F)(C(=O)O)c2ccccc21
InChIInChI=1S/C10H10FNO2/c11-10(9(13)14)5-8(12)6-3-1-2-4-7(6)10/h1-4,8H,5,12H2,(H,13,14)
InChIKeySBJQTAYATODRJP-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-fluoro-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 3-amino-1-fluoro-2,3-dihydroindene-1-carboxylic acid (CID 174904989) is 3-amino-1-fluoro-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 3-amino-1-fluoro-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 3-amino-1-fluoro-2,3-dihydroindene-1-carboxylic acid is NC1CC(F)(C(=O)O)c2ccccc21.
What is the InChIKey of 3-amino-1-fluoro-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is SBJQTAYATODRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c11-10(9(13)14)5-8(12)6-3-1-2-4-7(6)10/h1-4,8H,5,12H2,(H,13,14).
What are the key properties of 3-amino-1-fluoro-2,3-dihydroindene-1-carboxylic acid?
3-amino-1-fluoro-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 195.19 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-fluoro-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 174904989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).