7-amino-2-(2,2-difluoroethyl)isoindol-1-ol

C10H10F2N2O — CID 90912743

IUPAC7-amino-2-(2,2-difluoroethyl)isoindol-1-ol
SMILESNc1cccc2cn(CC(F)F)c(O)c12
InChIInChI=1S/C10H10F2N2O/c11-8(12)5-14-4-6-2-1-3-7(13)9(6)10(14)15/h1-4,8,15H,5,13H2
InChIKeyFBZGYLGGOMUIRV-UHFFFAOYSA-N
MW212.20 g/mol
LogP2.19
Rot. Bonds2

About 7-amino-2-(2,2-difluoroethyl)isoindol-1-ol

7-amino-2-(2,2-difluoroethyl)isoindol-1-ol (PubChem CID 90912743) has the molecular formula C10H10F2N2O and a molecular weight of 212.20 g/mol. Its IUPAC name is 7-amino-2-(2,2-difluoroethyl)isoindol-1-ol.

Molecular Properties

Compound Name7-amino-2-(2,2-difluoroethyl)isoindol-1-ol
PubChem CID90912743
Molecular FormulaC10H10F2N2O
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name7-amino-2-(2,2-difluoroethyl)isoindol-1-ol
SMILESNc1cccc2cn(CC(F)F)c(O)c12
InChIInChI=1S/C10H10F2N2O/c11-8(12)5-14-4-6-2-1-3-7(13)9(6)10(14)15/h1-4,8,15H,5,13H2
InChIKeyFBZGYLGGOMUIRV-UHFFFAOYSA-N
XLogP2.19
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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
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
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-[[4-(Trifluoromethyl)phenyl]methyl]isoindol-1-ol
CID 90773222
7-Amino-2-(2-fluoroethyl)isoindol-1-ol
CID 90774678
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-(2,2-difluoroethyl)isoindol-1-ol?
The IUPAC name of 7-amino-2-(2,2-difluoroethyl)isoindol-1-ol (CID 90912743) is 7-amino-2-(2,2-difluoroethyl)isoindol-1-ol.
What is the SMILES notation for 7-amino-2-(2,2-difluoroethyl)isoindol-1-ol?
The canonical SMILES for 7-amino-2-(2,2-difluoroethyl)isoindol-1-ol is Nc1cccc2cn(CC(F)F)c(O)c12.
What is the InChIKey of 7-amino-2-(2,2-difluoroethyl)isoindol-1-ol?
The InChIKey is FBZGYLGGOMUIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O/c11-8(12)5-14-4-6-2-1-3-7(13)9(6)10(14)15/h1-4,8,15H,5,13H2.
What are the key properties of 7-amino-2-(2,2-difluoroethyl)isoindol-1-ol?
7-amino-2-(2,2-difluoroethyl)isoindol-1-ol has a molecular weight of 212.20 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(2,2-difluoroethyl)isoindol-1-ol is sourced from PubChem (CID 90912743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).