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2-Amino-2-[3-(trifluoromethyl)phenyl]ethyl carbamate

HCID 59536795
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
NC(=O)OCC(N)c1cccc(C(F)(F)F)c1
InChIKey
ZQHWLNMRXKYRRU-UHFFFAOYSA-N
Molecular formula
C10H11F3N2O2
Average molar mass
248.2 g/mol
Monoisotopic mass
248.07726208

Names & identifiers

Preferred name
2-Amino-2-[3-(trifluoromethyl)phenyl]ethyl carbamate
IUPAC
[2-amino-2-[3-(trifluoromethyl)phenyl]ethyl] carbamate

Names & synonyms

2-Amino-2-[3-(trifluoromethyl)phenyl]ethyl carbamateSCHEMBL3448679

Database identifiers

PubChem CID
59536795

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

3 records
New reaction record
HRID 220694 reaction equation
HRID 220694As productuspto-grants-2012_06
HRID 2318033 reaction equation
HRID 2318033As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)
HRID 2402831 reaction equation
HRID 2402831As productuspto-grants-2014_08

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes