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2-[(5,7-Difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetonitrile

HCID 19699381
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
N#CCNC1CCc2c(F)cc(F)cc2C1
InChIKey
SUEGSOQDOFKJJA-UHFFFAOYSA-N
Molecular formula
C12H12F2N2
Average molar mass
222.23 g/mol
Monoisotopic mass
222.09685472

Names & identifiers

Preferred name
2-[(5,7-Difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetonitrile
IUPAC
2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetonitrile

Names & synonyms

SCHEMBL3423937

Database identifiers

PubChem CID
19699381

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
35.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
286

Related reactions

1 records
New reaction record
HRID 832907 reaction equation
HRID 832907As reactantTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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