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

C10H10FNO2 — CID 123294944

IUPAC3-amino-6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESNC1CC(C(=O)O)c2cc(F)ccc21
InChIInChI=1S/C10H10FNO2/c11-5-1-2-6-7(3-5)8(10(13)14)4-9(6)12/h1-3,8-9H,4,12H2,(H,13,14)
InChIKeyVVFDVMYXSPXVPF-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.40
Rot. Bonds1

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

3-amino-6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid (PubChem CID 123294944) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 3-amino-6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid
PubChem CID123294944
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name3-amino-6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESNC1CC(C(=O)O)c2cc(F)ccc21
InChIInChI=1S/C10H10FNO2/c11-5-1-2-6-7(3-5)8(10(13)14)4-9(6)12/h1-3,8-9H,4,12H2,(H,13,14)
InChIKeyVVFDVMYXSPXVPF-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Amino-2,3-dihydro-1H-indene-1-carboxylic acid
CID 233810
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
1-amino-2,3-dihydro-1H-indene-1-carboxylic acid hydrochloride
CID 45792443
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid?
The IUPAC name of 3-amino-6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid (CID 123294944) is 3-amino-6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid.
What is the SMILES notation for 3-amino-6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid?
The canonical SMILES for 3-amino-6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid is NC1CC(C(=O)O)c2cc(F)ccc21.
What is the InChIKey of 3-amino-6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid?
The InChIKey is VVFDVMYXSPXVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c11-5-1-2-6-7(3-5)8(10(13)14)4-9(6)12/h1-3,8-9H,4,12H2,(H,13,14).
What are the key properties of 3-amino-6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid?
3-amino-6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid has a molecular weight of 195.19 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid is sourced from PubChem (CID 123294944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).