3-Fluoro-4-(trifluoromethyl)benzoyl isocyanate

HCID 90019862
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Basic information

Standard SMILES
O=C=NC(=O)c1ccc(C(F)(F)F)c(F)c1
InChIKey
KEHGJLPTDOXGDA-UHFFFAOYSA-N
Molecular formula
C9H3F4NO2
Average molar mass
233.12 g/mol

Names & identifiers

Preferred name
3-Fluoro-4-(trifluoromethyl)benzoyl isocyanate
IUPAC
3-fluoro-4-(trifluoromethyl)benzoyl isocyanate

Names & synonyms

3-Fluoro-4-(trifluoromethyl)benzoyl isocyanateSCHEMBL15541406

Database identifiers

PubChem CID
90019862

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
46.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
16

Related reactions

4 records
New reaction record

Compound notes

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