methyl 1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylate;hydrochloride

C11H13ClFNO2 — CID 155896570

IUPACmethyl 1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(F)cc2c1CCC2N.Cl
InChIInChI=1S/C11H12FNO2.ClH/c1-15-11(14)9-5-6(12)4-8-7(9)2-3-10(8)13;/h4-5,10H,2-3,13H2,1H3;1H
InChIKeyUSSFYRAYWAJUQZ-UHFFFAOYSA-N
MW245.68 g/mol
LogP1.98
Rot. Bonds1

About methyl 1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylate;hydrochloride

methyl 1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylate;hydrochloride (PubChem CID 155896570) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is methyl 1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylate;hydrochloride
PubChem CID155896570
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC Namemethyl 1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(F)cc2c1CCC2N.Cl
InChIInChI=1S/C11H12FNO2.ClH/c1-15-11(14)9-5-6(12)4-8-7(9)2-3-10(8)13;/h4-5,10H,2-3,13H2,1H3;1H
InChIKeyUSSFYRAYWAJUQZ-UHFFFAOYSA-N
XLogP1.98
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylate;hydrochloride?
The IUPAC name of methyl 1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylate;hydrochloride (CID 155896570) is methyl 1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylate;hydrochloride is COC(=O)c1cc(F)cc2c1CCC2N.Cl.
What is the InChIKey of methyl 1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylate;hydrochloride?
The InChIKey is USSFYRAYWAJUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2.ClH/c1-15-11(14)9-5-6(12)4-8-7(9)2-3-10(8)13;/h4-5,10H,2-3,13H2,1H3;1H.
What are the key properties of methyl 1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylate;hydrochloride?
methyl 1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylate;hydrochloride has a molecular weight of 245.68 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylate;hydrochloride is sourced from PubChem (CID 155896570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).