4-(1,1,2,2-tetrafluoro-2-phenylethyl)-2,3-dihydro-1H-isoindole;hydrobromide

C16H14BrF4N — CID 90675041

IUPAC4-(1,1,2,2-tetrafluoro-2-phenylethyl)-2,3-dihydro-1H-isoindole;hydrobromide
SMILESBr.FC(F)(c1ccccc1)C(F)(F)c1cccc2c1CNC2
InChIInChI=1S/C16H13F4N.BrH/c17-15(18,12-6-2-1-3-7-12)16(19,20)14-8-4-5-11-9-21-10-13(11)14;/h1-8,21H,9-10H2;1H
InChIKeyJUNDVSOTSXQJKG-UHFFFAOYSA-N
MW376.19 g/mol
LogP4.75
Rot. Bonds3

About 4-(1,1,2,2-tetrafluoro-2-phenylethyl)-2,3-dihydro-1H-isoindole;hydrobromide

4-(1,1,2,2-tetrafluoro-2-phenylethyl)-2,3-dihydro-1H-isoindole;hydrobromide (PubChem CID 90675041) has the molecular formula C16H14BrF4N and a molecular weight of 376.19 g/mol. Its IUPAC name is 4-(1,1,2,2-tetrafluoro-2-phenylethyl)-2,3-dihydro-1H-isoindole;hydrobromide.

Molecular Properties

Compound Name4-(1,1,2,2-tetrafluoro-2-phenylethyl)-2,3-dihydro-1H-isoindole;hydrobromide
PubChem CID90675041
Molecular FormulaC16H14BrF4N
Molecular Weight376.19 g/mol
Exact Mass375.02
IUPAC Name4-(1,1,2,2-tetrafluoro-2-phenylethyl)-2,3-dihydro-1H-isoindole;hydrobromide
SMILESBr.FC(F)(c1ccccc1)C(F)(F)c1cccc2c1CNC2
InChIInChI=1S/C16H13F4N.BrH/c17-15(18,12-6-2-1-3-7-12)16(19,20)14-8-4-5-11-9-21-10-13(11)14;/h1-8,21H,9-10H2;1H
InChIKeyJUNDVSOTSXQJKG-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.19
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,2-tetrafluoro-2-phenylethyl)-2,3-dihydro-1H-isoindole;hydrobromide?
The IUPAC name of 4-(1,1,2,2-tetrafluoro-2-phenylethyl)-2,3-dihydro-1H-isoindole;hydrobromide (CID 90675041) is 4-(1,1,2,2-tetrafluoro-2-phenylethyl)-2,3-dihydro-1H-isoindole;hydrobromide.
What is the SMILES notation for 4-(1,1,2,2-tetrafluoro-2-phenylethyl)-2,3-dihydro-1H-isoindole;hydrobromide?
The canonical SMILES for 4-(1,1,2,2-tetrafluoro-2-phenylethyl)-2,3-dihydro-1H-isoindole;hydrobromide is Br.FC(F)(c1ccccc1)C(F)(F)c1cccc2c1CNC2.
What is the InChIKey of 4-(1,1,2,2-tetrafluoro-2-phenylethyl)-2,3-dihydro-1H-isoindole;hydrobromide?
The InChIKey is JUNDVSOTSXQJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4N.BrH/c17-15(18,12-6-2-1-3-7-12)16(19,20)14-8-4-5-11-9-21-10-13(11)14;/h1-8,21H,9-10H2;1H.
What are the key properties of 4-(1,1,2,2-tetrafluoro-2-phenylethyl)-2,3-dihydro-1H-isoindole;hydrobromide?
4-(1,1,2,2-tetrafluoro-2-phenylethyl)-2,3-dihydro-1H-isoindole;hydrobromide has a molecular weight of 376.19 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,2-tetrafluoro-2-phenylethyl)-2,3-dihydro-1H-isoindole;hydrobromide is sourced from PubChem (CID 90675041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).