7-amino-2-(2-fluoroethyl)-3-(hydroxymethyl)isoindol-1-ol

C11H13FN2O2 — CID 90861749

IUPAC7-amino-2-(2-fluoroethyl)-3-(hydroxymethyl)isoindol-1-ol
SMILESNc1cccc2c(CO)n(CCF)c(O)c12
InChIInChI=1S/C11H13FN2O2/c12-4-5-14-9(6-15)7-2-1-3-8(13)10(7)11(14)16/h1-3,15-16H,4-6,13H2
InChIKeyLUTIZGXIWOZKIK-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.39
Rot. Bonds3

About 7-amino-2-(2-fluoroethyl)-3-(hydroxymethyl)isoindol-1-ol

7-amino-2-(2-fluoroethyl)-3-(hydroxymethyl)isoindol-1-ol (PubChem CID 90861749) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is 7-amino-2-(2-fluoroethyl)-3-(hydroxymethyl)isoindol-1-ol.

Molecular Properties

Compound Name7-amino-2-(2-fluoroethyl)-3-(hydroxymethyl)isoindol-1-ol
PubChem CID90861749
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Name7-amino-2-(2-fluoroethyl)-3-(hydroxymethyl)isoindol-1-ol
SMILESNc1cccc2c(CO)n(CCF)c(O)c12
InChIInChI=1S/C11H13FN2O2/c12-4-5-14-9(6-15)7-2-1-3-8(13)10(7)11(14)16/h1-3,15-16H,4-6,13H2
InChIKeyLUTIZGXIWOZKIK-UHFFFAOYSA-N
XLogP1.39
TPSA71.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-Amino-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol
CID 89282565
7-Amino-2-(3,3,3-trifluoropropyl)isoindol-1-ol
CID 90718591
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
7-Amino-2-(2-fluoroethyl)isoindol-1-ol
CID 90774678
7-Amino-2-(2,2-difluoroethyl)isoindol-1-ol
CID 90912743
7-Amino-3-[(dimethylamino)methyl]-2-(2-fluoroethyl)isoindol-1-ol
CID 90961053
7-Amino-2-(2,2-difluoropropyl)-3-methylisoindol-1-ol
CID 90962723
7-Amino-2-(2,2-difluoroethyl)-3-methylisoindol-1-ol
CID 90970727
7-Amino-2-(3-fluoropropyl)isoindol-1-ol
CID 91001930
7-Amino-2-(2-fluoroethyl)-3-(methoxymethyl)isoindol-1-ol
CID 91023021
7-Amino-2-(2-fluoro-2-methylpropyl)isoindol-1-ol
CID 91033330

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(2-fluoroethyl)-3-(hydroxymethyl)isoindol-1-ol?
The IUPAC name of 7-amino-2-(2-fluoroethyl)-3-(hydroxymethyl)isoindol-1-ol (CID 90861749) is 7-amino-2-(2-fluoroethyl)-3-(hydroxymethyl)isoindol-1-ol.
What is the SMILES notation for 7-amino-2-(2-fluoroethyl)-3-(hydroxymethyl)isoindol-1-ol?
The canonical SMILES for 7-amino-2-(2-fluoroethyl)-3-(hydroxymethyl)isoindol-1-ol is Nc1cccc2c(CO)n(CCF)c(O)c12.
What is the InChIKey of 7-amino-2-(2-fluoroethyl)-3-(hydroxymethyl)isoindol-1-ol?
The InChIKey is LUTIZGXIWOZKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-4-5-14-9(6-15)7-2-1-3-8(13)10(7)11(14)16/h1-3,15-16H,4-6,13H2.
What are the key properties of 7-amino-2-(2-fluoroethyl)-3-(hydroxymethyl)isoindol-1-ol?
7-amino-2-(2-fluoroethyl)-3-(hydroxymethyl)isoindol-1-ol has a molecular weight of 224.23 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(2-fluoroethyl)-3-(hydroxymethyl)isoindol-1-ol is sourced from PubChem (CID 90861749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).