2-amino-4,7-difluoro-1,3-dihydroindene-2-carboxylic acid

C10H9F2NO2 — CID 141221671

IUPAC2-amino-4,7-difluoro-1,3-dihydroindene-2-carboxylic acid
SMILESNC1(C(=O)O)Cc2c(F)ccc(F)c2C1
InChIInChI=1S/C10H9F2NO2/c11-7-1-2-8(12)6-4-10(13,9(14)15)3-5(6)7/h1-2H,3-4,13H2,(H,14,15)
InChIKeyWFWKRMQABNNSNF-UHFFFAOYSA-N
MW213.18 g/mol
LogP0.85
Rot. Bonds1

About 2-amino-4,7-difluoro-1,3-dihydroindene-2-carboxylic acid

2-amino-4,7-difluoro-1,3-dihydroindene-2-carboxylic acid (PubChem CID 141221671) has the molecular formula C10H9F2NO2 and a molecular weight of 213.18 g/mol. Its IUPAC name is 2-amino-4,7-difluoro-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-amino-4,7-difluoro-1,3-dihydroindene-2-carboxylic acid
PubChem CID141221671
Molecular FormulaC10H9F2NO2
Molecular Weight213.18 g/mol
Exact Mass213.06
IUPAC Name2-amino-4,7-difluoro-1,3-dihydroindene-2-carboxylic acid
SMILESNC1(C(=O)O)Cc2c(F)ccc(F)c2C1
InChIInChI=1S/C10H9F2NO2/c11-7-1-2-8(12)6-4-10(13,9(14)15)3-5(6)7/h1-2H,3-4,13H2,(H,14,15)
InChIKeyWFWKRMQABNNSNF-UHFFFAOYSA-N
XLogP0.85
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,7-difluoro-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-amino-4,7-difluoro-1,3-dihydroindene-2-carboxylic acid (CID 141221671) is 2-amino-4,7-difluoro-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-amino-4,7-difluoro-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-amino-4,7-difluoro-1,3-dihydroindene-2-carboxylic acid is NC1(C(=O)O)Cc2c(F)ccc(F)c2C1.
What is the InChIKey of 2-amino-4,7-difluoro-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is WFWKRMQABNNSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO2/c11-7-1-2-8(12)6-4-10(13,9(14)15)3-5(6)7/h1-2H,3-4,13H2,(H,14,15).
What are the key properties of 2-amino-4,7-difluoro-1,3-dihydroindene-2-carboxylic acid?
2-amino-4,7-difluoro-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 213.18 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,7-difluoro-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 141221671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).