(1S)-1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylic acid

C10H10FNO2 — CID 131095589

IUPAC(1S)-1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylic acid
SMILESN[C@H]1CCc2c(C(=O)O)cc(F)cc21
InChIInChI=1S/C10H10FNO2/c11-5-3-7-6(1-2-9(7)12)8(4-5)10(13)14/h3-4,9H,1-2,12H2,(H,13,14)/t9-/m0/s1
InChIKeyPHGCZYWARNLKFE-VIFPVBQESA-N
MW195.19 g/mol
LogP1.47
Rot. Bonds1

About (1S)-1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylic acid

(1S)-1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylic acid (PubChem CID 131095589) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is (1S)-1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylic acid.

Molecular Properties

Compound Name(1S)-1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylic acid
PubChem CID131095589
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name(1S)-1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylic acid
SMILESN[C@H]1CCc2c(C(=O)O)cc(F)cc21
InChIInChI=1S/C10H10FNO2/c11-5-3-7-6(1-2-9(7)12)8(4-5)10(13)14/h3-4,9H,1-2,12H2,(H,13,14)/t9-/m0/s1
InChIKeyPHGCZYWARNLKFE-VIFPVBQESA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylic acid?
The IUPAC name of (1S)-1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylic acid (CID 131095589) is (1S)-1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylic acid.
What is the SMILES notation for (1S)-1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylic acid?
The canonical SMILES for (1S)-1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylic acid is N[C@H]1CCc2c(C(=O)O)cc(F)cc21.
What is the InChIKey of (1S)-1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylic acid?
The InChIKey is PHGCZYWARNLKFE-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10FNO2/c11-5-3-7-6(1-2-9(7)12)8(4-5)10(13)14/h3-4,9H,1-2,12H2,(H,13,14)/t9-/m0/s1.
What are the key properties of (1S)-1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylic acid?
(1S)-1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylic acid has a molecular weight of 195.19 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylic acid is sourced from PubChem (CID 131095589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).