2,2-Bis(3-(trifluoromethoxy)phenyl)acetonitrile

HCID 59458751
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Basic information

Standard SMILES
N#CC(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1
InChIKey
SIXFJQHECNBXPN-UHFFFAOYSA-N
Molecular formula
C16H9F6NO2
Average molar mass
361.24 g/mol
Monoisotopic mass
361.0537475

Names & identifiers

Preferred name
2,2-Bis(3-(trifluoromethoxy)phenyl)acetonitrile
IUPAC
2,2-bis[3-(trifluoromethoxy)phenyl]acetonitrile

Names & synonyms

2,2-bis(3-(trifluoromethoxy)phenyl)acetonitrileSCHEMBL689729

Database identifiers

PubChem CID
59458751

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
42.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
4
Heavy atoms
25

Related reactions

12 records
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Compound notes

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