7-amino-2-(2-fluoroethyl)isoindol-1-ol

C10H11FN2O — CID 90774678

IUPAC7-amino-2-(2-fluoroethyl)isoindol-1-ol
SMILESNc1cccc2cn(CCF)c(O)c12
InChIInChI=1S/C10H11FN2O/c11-4-5-13-6-7-2-1-3-8(12)9(7)10(13)14/h1-3,6,14H,4-5,12H2
InChIKeyXVQRJYIPZPAVDA-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.90
Rot. Bonds2

About 7-amino-2-(2-fluoroethyl)isoindol-1-ol

7-amino-2-(2-fluoroethyl)isoindol-1-ol (PubChem CID 90774678) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 7-amino-2-(2-fluoroethyl)isoindol-1-ol.

Molecular Properties

Compound Name7-amino-2-(2-fluoroethyl)isoindol-1-ol
PubChem CID90774678
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name7-amino-2-(2-fluoroethyl)isoindol-1-ol
SMILESNc1cccc2cn(CCF)c(O)c12
InChIInChI=1S/C10H11FN2O/c11-4-5-13-6-7-2-1-3-8(12)9(7)10(13)14/h1-3,6,14H,4-5,12H2
InChIKeyXVQRJYIPZPAVDA-UHFFFAOYSA-N
XLogP1.90
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 7-amino-2-(2-fluoroethyl)isoindol-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

11-Methyl-2,4,11-triazatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),2,4,6,8,10(17),12,14-octaen-12-ol
CID 159546729
3-(2-Aminoethyl)-5-fluoro-1-methylindol-4-ol
CID 84076778
3-(2-Aminoethyl)-7-fluoro-1-prop-2-enylindol-4-ol
CID 89059490
2-[2-(2-Fluorophenyl)ethyl]-7-(pyridin-4-ylmethylamino)isoindol-1-ol
CID 90685162
7-Amino-2-(3,3,3-trifluoropropyl)isoindol-1-ol
CID 90718591
2-[(4-Fluorophenyl)methyl]-7-iodoisoindol-1-ol
CID 90733817
7-Amino-3-ethyl-2-(2-fluoroethyl)isoindol-1-ol
CID 90740335
7-Amino-3-methyl-2-(2,2,2-trifluoroethyl)isoindol-1-ol
CID 90747922
2-[3-(2,4-Difluorophenyl)propyl]isoindol-1-ol
CID 90794714
2-Benzyl-6-fluoroisoindol-1-ol
CID 90795823
2-(4-Butan-2-ylphenyl)-7-[(4-fluorophenyl)methylamino]isoindol-1-ol
CID 90844715
7-Amino-2-(2-fluoroethyl)-3-(hydroxymethyl)isoindol-1-ol
CID 90861749

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(2-fluoroethyl)isoindol-1-ol?
The IUPAC name of 7-amino-2-(2-fluoroethyl)isoindol-1-ol (CID 90774678) is 7-amino-2-(2-fluoroethyl)isoindol-1-ol.
What is the SMILES notation for 7-amino-2-(2-fluoroethyl)isoindol-1-ol?
The canonical SMILES for 7-amino-2-(2-fluoroethyl)isoindol-1-ol is Nc1cccc2cn(CCF)c(O)c12.
What is the InChIKey of 7-amino-2-(2-fluoroethyl)isoindol-1-ol?
The InChIKey is XVQRJYIPZPAVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c11-4-5-13-6-7-2-1-3-8(12)9(7)10(13)14/h1-3,6,14H,4-5,12H2.
What are the key properties of 7-amino-2-(2-fluoroethyl)isoindol-1-ol?
7-amino-2-(2-fluoroethyl)isoindol-1-ol has a molecular weight of 194.21 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(2-fluoroethyl)isoindol-1-ol is sourced from PubChem (CID 90774678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).