N-[[4-bromo-1-(1,2,2-trifluoroethyl)indol-2-yl]methylidene]hydroxylamine

C11H8BrF3N2O — CID 175459803

IUPACN-[[4-bromo-1-(1,2,2-trifluoroethyl)indol-2-yl]methylidene]hydroxylamine
SMILESON=Cc1cc2c(Br)cccc2n1C(F)C(F)F
InChIInChI=1S/C11H8BrF3N2O/c12-8-2-1-3-9-7(8)4-6(5-16-18)17(9)11(15)10(13)14/h1-5,10-11,18H
InChIKeyUGIYNIFSZRNJFL-UHFFFAOYSA-N
MW321.10 g/mol
LogP3.95
Rot. Bonds3

About N-[[4-bromo-1-(1,2,2-trifluoroethyl)indol-2-yl]methylidene]hydroxylamine

N-[[4-bromo-1-(1,2,2-trifluoroethyl)indol-2-yl]methylidene]hydroxylamine (PubChem CID 175459803) has the molecular formula C11H8BrF3N2O and a molecular weight of 321.10 g/mol. Its IUPAC name is N-[[4-bromo-1-(1,2,2-trifluoroethyl)indol-2-yl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[4-bromo-1-(1,2,2-trifluoroethyl)indol-2-yl]methylidene]hydroxylamine
PubChem CID175459803
Molecular FormulaC11H8BrF3N2O
Molecular Weight321.10 g/mol
Exact Mass319.98
IUPAC NameN-[[4-bromo-1-(1,2,2-trifluoroethyl)indol-2-yl]methylidene]hydroxylamine
SMILESON=Cc1cc2c(Br)cccc2n1C(F)C(F)F
InChIInChI=1S/C11H8BrF3N2O/c12-8-2-1-3-9-7(8)4-6(5-16-18)17(9)11(15)10(13)14/h1-5,10-11,18H
InChIKeyUGIYNIFSZRNJFL-UHFFFAOYSA-N
XLogP3.95
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.10
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[4-bromo-1-(1,2,2-trifluoroethyl)indol-2-yl]methylidene]hydroxylamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-bromo-1-(1,2,2-trifluoroethyl)indol-2-yl]methylidene]hydroxylamine?
The IUPAC name of N-[[4-bromo-1-(1,2,2-trifluoroethyl)indol-2-yl]methylidene]hydroxylamine (CID 175459803) is N-[[4-bromo-1-(1,2,2-trifluoroethyl)indol-2-yl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[4-bromo-1-(1,2,2-trifluoroethyl)indol-2-yl]methylidene]hydroxylamine?
The canonical SMILES for N-[[4-bromo-1-(1,2,2-trifluoroethyl)indol-2-yl]methylidene]hydroxylamine is ON=Cc1cc2c(Br)cccc2n1C(F)C(F)F.
What is the InChIKey of N-[[4-bromo-1-(1,2,2-trifluoroethyl)indol-2-yl]methylidene]hydroxylamine?
The InChIKey is UGIYNIFSZRNJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N2O/c12-8-2-1-3-9-7(8)4-6(5-16-18)17(9)11(15)10(13)14/h1-5,10-11,18H.
What are the key properties of N-[[4-bromo-1-(1,2,2-trifluoroethyl)indol-2-yl]methylidene]hydroxylamine?
N-[[4-bromo-1-(1,2,2-trifluoroethyl)indol-2-yl]methylidene]hydroxylamine has a molecular weight of 321.10 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-bromo-1-(1,2,2-trifluoroethyl)indol-2-yl]methylidene]hydroxylamine is sourced from PubChem (CID 175459803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).