3-(4-(Trifluoromethyl)phenyl)-3,3-dimethoxypropionitrile

HCID 20534839
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Basic information

Standard SMILES
COC(CC#N)(OC)c1ccc(C(F)(F)F)cc1
InChIKey
MQIPBHFOKSTVPN-UHFFFAOYSA-N
Molecular formula
C12H12F3NO2
Average molar mass
259.22 g/mol
Monoisotopic mass
259.08201311

Names & identifiers

Preferred name
3-(4-(Trifluoromethyl)phenyl)-3,3-dimethoxypropionitrile
IUPAC
3,3-dimethoxy-3-[4-(trifluoromethyl)phenyl]propanenitrile

Names & synonyms

3-(4-(trifluoromethyl)phenyl)-3,3-dimethoxypropionitrileSCHEMBL11271258

Database identifiers

PubChem CID
20534839

Properties

Computed structural properties

XLogP
2
Topological polar surface area
42.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
18

Related reactions

2 records
New reaction record

Compound notes

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