2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine;hydrobromide

C10H10BrF3N2 — CID 2891795

IUPAC2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine;hydrobromide
SMILESBr.[H]/N=C1/c2ccccc2CN1CC(F)(F)F
InChIInChI=1S/C10H9F3N2.BrH/c11-10(12,13)6-15-5-7-3-1-2-4-8(7)9(15)14;/h1-4,14H,5-6H2;1H/b14-9-;
InChIKeyJAZRZRBRUMXXGP-WQRRWHLMSA-N
MW295.10 g/mol
LogP2.97
Rot. Bonds1

About 2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine;hydrobromide

2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine;hydrobromide (PubChem CID 2891795) has the molecular formula C10H10BrF3N2 and a molecular weight of 295.10 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine;hydrobromide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine;hydrobromide
PubChem CID2891795
Molecular FormulaC10H10BrF3N2
Molecular Weight295.10 g/mol
Exact Mass294.00
IUPAC Name2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine;hydrobromide
SMILESBr.[H]/N=C1/c2ccccc2CN1CC(F)(F)F
InChIInChI=1S/C10H9F3N2.BrH/c11-10(12,13)6-15-5-7-3-1-2-4-8(7)9(15)14;/h1-4,14H,5-6H2;1H/b14-9-;
InChIKeyJAZRZRBRUMXXGP-WQRRWHLMSA-N
XLogP2.97
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.10
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine;hydrobromide?
The IUPAC name of 2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine;hydrobromide (CID 2891795) is 2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine;hydrobromide.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine;hydrobromide?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine;hydrobromide is Br.[H]/N=C1/c2ccccc2CN1CC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine;hydrobromide?
The InChIKey is JAZRZRBRUMXXGP-WQRRWHLMSA-N. The full InChI is InChI=1S/C10H9F3N2.BrH/c11-10(12,13)6-15-5-7-3-1-2-4-8(7)9(15)14;/h1-4,14H,5-6H2;1H/b14-9-;.
What are the key properties of 2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine;hydrobromide?
2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine;hydrobromide has a molecular weight of 295.10 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine;hydrobromide is sourced from PubChem (CID 2891795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).