3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid

C10H9F2NO2 — CID 123602026

IUPAC3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESNC1CC(C(=O)O)c2cc(F)cc(F)c21
InChIInChI=1S/C10H9F2NO2/c11-4-1-5-6(10(14)15)3-8(13)9(5)7(12)2-4/h1-2,6,8H,3,13H2,(H,14,15)
InChIKeyWWSPFBOREYRCIR-UHFFFAOYSA-N
MW213.18 g/mol
LogP1.54
Rot. Bonds1

About 3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid

3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid (PubChem CID 123602026) has the molecular formula C10H9F2NO2 and a molecular weight of 213.18 g/mol. Its IUPAC name is 3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid
PubChem CID123602026
Molecular FormulaC10H9F2NO2
Molecular Weight213.18 g/mol
Exact Mass213.06
IUPAC Name3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESNC1CC(C(=O)O)c2cc(F)cc(F)c21
InChIInChI=1S/C10H9F2NO2/c11-4-1-5-6(10(14)15)3-8(13)9(5)7(12)2-4/h1-2,6,8H,3,13H2,(H,14,15)
InChIKeyWWSPFBOREYRCIR-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-1-Amino-indan-2-carboxylic acid
CID 17039340
rac-(1R,2R)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid hydrochloride
CID 17039339
tert-butyl 3-amino-2,3-dihydro-1H-indene-1-carboxylate
CID 122163688
rac-(1R,3S)-3-amino-2,3-dihydro-1H-indene-1-carboxylic acid hydrochloride
CID 132342251
1-amino-2,3-dihydro-1H-indene-2-carboxylic acid
CID 427900
2-(3-amino-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 21820527
3-[(2-cyclopent-2-en-1-ylacetyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid
CID 132387835
(1S,3R)-3-Amino-2,3-dihydro-1H-indene-1-carboxylic acid
CID 1502027
(3R)-3-amino-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid
CID 55275441
1-amino-4-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 55295672
3-amino-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid
CID 55297831
(3S)-3-Amino-7-fluoroindane-5-carboxylic acid
CID 66798917

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid?
The IUPAC name of 3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid (CID 123602026) is 3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid.
What is the SMILES notation for 3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid?
The canonical SMILES for 3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid is NC1CC(C(=O)O)c2cc(F)cc(F)c21.
What is the InChIKey of 3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid?
The InChIKey is WWSPFBOREYRCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO2/c11-4-1-5-6(10(14)15)3-8(13)9(5)7(12)2-4/h1-2,6,8H,3,13H2,(H,14,15).
What are the key properties of 3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid?
3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid has a molecular weight of 213.18 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid is sourced from PubChem (CID 123602026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).