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[2-Amino-2-[2-(trifluoromethyl)phenyl]ethyl] carbamate

HCID 59536751
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
NC(=O)OCC(N)c1ccccc1C(F)(F)F
InChIKey
UULMMEPBVFBQLL-UHFFFAOYSA-N
Molecular formula
C10H11F3N2O2
Average molar mass
248.2 g/mol
Monoisotopic mass
248.07726208

Names & identifiers

Preferred name
[2-Amino-2-[2-(trifluoromethyl)phenyl]ethyl] carbamate
IUPAC
[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl] carbamate

Names & synonyms

SCHEMBL10216863UULMMEPBVFBQLL-UHFFFAOYSA-N[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl] carbamate

Database identifiers

PubChem CID
59536751

Properties

Computed structural propertiesFilling in

XLogP
1
Topological polar surface area
78.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
17
Formal charge
0
Complexity
271

Related reactions

1 records
New reaction record
HRID 182573 reaction equation
HRID 182573As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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