7-amino-3-methyl-2-(2,2,2-trifluoroethyl)isoindol-1-ol

C11H11F3N2O — CID 90747922

IUPAC7-amino-3-methyl-2-(2,2,2-trifluoroethyl)isoindol-1-ol
SMILESCc1c2cccc(N)c2c(O)n1CC(F)(F)F
InChIInChI=1S/C11H11F3N2O/c1-6-7-3-2-4-8(15)9(7)10(17)16(6)5-11(12,13)14/h2-4,17H,5,15H2,1H3
InChIKeyGJKDOFBEVIRIRU-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.80
Rot. Bonds1

About 7-amino-3-methyl-2-(2,2,2-trifluoroethyl)isoindol-1-ol

7-amino-3-methyl-2-(2,2,2-trifluoroethyl)isoindol-1-ol (PubChem CID 90747922) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 7-amino-3-methyl-2-(2,2,2-trifluoroethyl)isoindol-1-ol.

Molecular Properties

Compound Name7-amino-3-methyl-2-(2,2,2-trifluoroethyl)isoindol-1-ol
PubChem CID90747922
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name7-amino-3-methyl-2-(2,2,2-trifluoroethyl)isoindol-1-ol
SMILESCc1c2cccc(N)c2c(O)n1CC(F)(F)F
InChIInChI=1S/C11H11F3N2O/c1-6-7-3-2-4-8(15)9(7)10(17)16(6)5-11(12,13)14/h2-4,17H,5,15H2,1H3
InChIKeyGJKDOFBEVIRIRU-UHFFFAOYSA-N
XLogP2.80
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.80
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

1-Ethyl-3-hydrazono-1,3-dihydro-indol-2-one
CID 2386107
3-hydrazinylidene-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-2-one
CID 767127
1-ethyl-3-(2-piperidinylidene)-1,3-dihydro-2H-indol-2-one
CID 878566
3-hydrazinylidene-1-propyl-2,3-dihydro-1H-indol-2-one
CID 2384264
3-(3H-indol-2-yl)-1-methylindol-2-ol
CID 136066022
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-Hydrazono-1-methyl-1,3-dihydro-indol-2-one
CID 600234
1-Ethyl-3-(pyrrolidin-2-ylidene)-2-indolinone
CID 615082
1-Methyl-1H-indol-2-ol
CID 2763659
(3Z)-1-butyl-3-[[2-(trifluoromethyl)phenyl]hydrazono]oxindole
CID 135857075
3-(aminomethylene)-1-phenyl-1,3-dihydro-2H-indol-2-one
CID 741254
1-Methyl-3-[(1-naphthylamino)methylene]-1,3-dihydro-2H-indol-2-one
CID 805270

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-methyl-2-(2,2,2-trifluoroethyl)isoindol-1-ol?
The IUPAC name of 7-amino-3-methyl-2-(2,2,2-trifluoroethyl)isoindol-1-ol (CID 90747922) is 7-amino-3-methyl-2-(2,2,2-trifluoroethyl)isoindol-1-ol.
What is the SMILES notation for 7-amino-3-methyl-2-(2,2,2-trifluoroethyl)isoindol-1-ol?
The canonical SMILES for 7-amino-3-methyl-2-(2,2,2-trifluoroethyl)isoindol-1-ol is Cc1c2cccc(N)c2c(O)n1CC(F)(F)F.
What is the InChIKey of 7-amino-3-methyl-2-(2,2,2-trifluoroethyl)isoindol-1-ol?
The InChIKey is GJKDOFBEVIRIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-6-7-3-2-4-8(15)9(7)10(17)16(6)5-11(12,13)14/h2-4,17H,5,15H2,1H3.
What are the key properties of 7-amino-3-methyl-2-(2,2,2-trifluoroethyl)isoindol-1-ol?
7-amino-3-methyl-2-(2,2,2-trifluoroethyl)isoindol-1-ol has a molecular weight of 244.22 g/mol, XLogP of 2.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-methyl-2-(2,2,2-trifluoroethyl)isoindol-1-ol is sourced from PubChem (CID 90747922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).