5-(1-bromo-2,2,2-trifluoroethyl)-6-chloro-1,3-dihydroindol-2-one

C10H6BrClF3NO — CID 61095989

IUPAC5-(1-bromo-2,2,2-trifluoroethyl)-6-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Br)C(F)(F)F)c(Cl)cc2N1
InChIInChI=1S/C10H6BrClF3NO/c11-9(10(13,14)15)5-1-4-2-8(17)16-7(4)3-6(5)12/h1,3,9H,2H2,(H,16,17)
InChIKeyCVQCPONNYYSRBM-UHFFFAOYSA-N
MW328.52 g/mol
LogP3.83
Rot. Bonds1

About 5-(1-bromo-2,2,2-trifluoroethyl)-6-chloro-1,3-dihydroindol-2-one

5-(1-bromo-2,2,2-trifluoroethyl)-6-chloro-1,3-dihydroindol-2-one (PubChem CID 61095989) has the molecular formula C10H6BrClF3NO and a molecular weight of 328.52 g/mol. Its IUPAC name is 5-(1-bromo-2,2,2-trifluoroethyl)-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(1-bromo-2,2,2-trifluoroethyl)-6-chloro-1,3-dihydroindol-2-one
PubChem CID61095989
Molecular FormulaC10H6BrClF3NO
Molecular Weight328.52 g/mol
Exact Mass326.93
IUPAC Name5-(1-bromo-2,2,2-trifluoroethyl)-6-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Br)C(F)(F)F)c(Cl)cc2N1
InChIInChI=1S/C10H6BrClF3NO/c11-9(10(13,14)15)5-1-4-2-8(17)16-7(4)3-6(5)12/h1,3,9H,2H2,(H,16,17)
InChIKeyCVQCPONNYYSRBM-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.52
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-bromo-2,2,2-trifluoroethyl)-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-(1-bromo-2,2,2-trifluoroethyl)-6-chloro-1,3-dihydroindol-2-one (CID 61095989) is 5-(1-bromo-2,2,2-trifluoroethyl)-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(1-bromo-2,2,2-trifluoroethyl)-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(1-bromo-2,2,2-trifluoroethyl)-6-chloro-1,3-dihydroindol-2-one is O=C1Cc2cc(C(Br)C(F)(F)F)c(Cl)cc2N1.
What is the InChIKey of 5-(1-bromo-2,2,2-trifluoroethyl)-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is CVQCPONNYYSRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClF3NO/c11-9(10(13,14)15)5-1-4-2-8(17)16-7(4)3-6(5)12/h1,3,9H,2H2,(H,16,17).
What are the key properties of 5-(1-bromo-2,2,2-trifluoroethyl)-6-chloro-1,3-dihydroindol-2-one?
5-(1-bromo-2,2,2-trifluoroethyl)-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 328.52 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bromo-2,2,2-trifluoroethyl)-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 61095989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).