2-Amino-5-(benzyloxy)-2-(difluoromethyl)pentanenitrile

HCID 20482003CAS 88185-21-1
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Basic information

Standard SMILES
N#CC(N)(CCCOCc1ccccc1)C(F)F
InChIKey
JYYSPUBWXWTRML-UHFFFAOYSA-N
Molecular formula
C13H16F2N2O
Average molar mass
254.28 g/mol
Monoisotopic mass
254.12306946

Names & identifiers

Preferred name
2-Amino-5-(benzyloxy)-2-(difluoromethyl)pentanenitrile
IUPAC
2-amino-2-(difluoromethyl)-5-phenylmethoxypentanenitrile

Names & synonyms

88185-21-12-Amino-5-(benzyloxy)-2-(difluoromethyl)pentanenitrileSCHEMBL11089718DTXSID906078202-Difluoromethyl-2-amino-5-benzyloxy-pentanenitrile

Database identifiers

CAS
88185-21-1
PubChem CID
20482003
DTXSID
DTXSID90607820

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
59 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
18

Related reactions

2 records
New reaction record

Linked notes

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