5-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one

C12H10BrClF3NO2 — CID 103211009

IUPAC5-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Br)COCC(F)(F)F)c(Cl)cc2N1
InChIInChI=1S/C12H10BrClF3NO2/c13-8(4-20-5-12(15,16)17)7-1-6-2-11(19)18-10(6)3-9(7)14/h1,3,8H,2,4-5H2,(H,18,19)
InChIKeyXQZNYTSDULYYJO-UHFFFAOYSA-N
MW372.57 g/mol
LogP3.85
Rot. Bonds4

About 5-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one

5-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one (PubChem CID 103211009) has the molecular formula C12H10BrClF3NO2 and a molecular weight of 372.57 g/mol. Its IUPAC name is 5-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one
PubChem CID103211009
Molecular FormulaC12H10BrClF3NO2
Molecular Weight372.57 g/mol
Exact Mass370.95
IUPAC Name5-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Br)COCC(F)(F)F)c(Cl)cc2N1
InChIInChI=1S/C12H10BrClF3NO2/c13-8(4-20-5-12(15,16)17)7-1-6-2-11(19)18-10(6)3-9(7)14/h1,3,8H,2,4-5H2,(H,18,19)
InChIKeyXQZNYTSDULYYJO-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.57
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one 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 5-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one (CID 103211009) is 5-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one is O=C1Cc2cc(C(Br)COCC(F)(F)F)c(Cl)cc2N1.
What is the InChIKey of 5-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is XQZNYTSDULYYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClF3NO2/c13-8(4-20-5-12(15,16)17)7-1-6-2-11(19)18-10(6)3-9(7)14/h1,3,8H,2,4-5H2,(H,18,19).
What are the key properties of 5-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one?
5-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 372.57 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 103211009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).