[5-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol

C11H11F3N2O — CID 89282565

IUPAC[5-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol
SMILESNc1ccc2c(c1)cc(CO)n2CC(F)(F)F
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)6-16-9(5-17)4-7-3-8(15)1-2-10(7)16/h1-4,17H,5-6,15H2
InChIKeySNTKLAWVVUGVLD-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.28
Rot. Bonds2

About [5-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol

[5-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol (PubChem CID 89282565) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is [5-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol.

Molecular Properties

Compound Name[5-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol
PubChem CID89282565
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name[5-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol
SMILESNc1ccc2c(c1)cc(CO)n2CC(F)(F)F
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)6-16-9(5-17)4-7-3-8(15)1-2-10(7)16/h1-4,17H,5-6,15H2
InChIKeySNTKLAWVVUGVLD-UHFFFAOYSA-N
XLogP2.28
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol?
The IUPAC name of [5-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol (CID 89282565) is [5-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol.
What is the SMILES notation for [5-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol?
The canonical SMILES for [5-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol is Nc1ccc2c(c1)cc(CO)n2CC(F)(F)F.
What is the InChIKey of [5-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol?
The InChIKey is SNTKLAWVVUGVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-11(13,14)6-16-9(5-17)4-7-3-8(15)1-2-10(7)16/h1-4,17H,5-6,15H2.
What are the key properties of [5-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol?
[5-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol has a molecular weight of 244.22 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol is sourced from PubChem (CID 89282565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).