N-(2-(3,3-Difluoropyrrolidin-1-yl)-3-fluorobenzylidene)-3,3-dimethylbutan-1-amine

HCID 57774377

Basic information

Standard SMILES
CC(C)(C)CCN=Cc1cccc(F)c1N1CCC(F)(F)C1
InChIKey
GXRISWIDHASLGS-UHFFFAOYSA-N
Molecular formula
C17H23F3N2
Average molar mass
312.37 g/mol

Names & identifiers

Preferred name
N-(2-(3,3-Difluoropyrrolidin-1-yl)-3-fluorobenzylidene)-3,3-dimethylbutan-1-amine
IUPAC
1-[2-(3,3-difluoropyrrolidin-1-yl)-3-fluorophenyl]-N-(3,3-dimethylbutyl)methanimine

Names & synonyms

N-(2-(3,3-Difluoropyrrolidin-1-yl)-3-fluorobenzylidene)-3,3-dimethylbutan-1-amineSCHEMBL2104127SCHEMBL2104129SCHEMBL2604351GXRISWIDHASLGS-SRZZPIQSSA-NGXRISWIDHASLGS-UHFFFAOYSA-N

Database identifiers

PubChem CID
57774377

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
15.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
22

Related reactions

4 records

Compound notes

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