Ethyl (Z)-3-(dimethylcarbamoylamino)-4,4,4-trifluoro-but-2-enoate

HCID 11334267

Basic information

Standard SMILES
CCOC(=O)/C=C(\NC(=O)N(C)C)C(F)(F)F
InChIKey
LBRSMSMOPWFBCQ-WAYWQWQTSA-N
Molecular formula
C9H13F3N2O3
Average molar mass
254.21 g/mol

Names & identifiers

Preferred name
Ethyl (Z)-3-(dimethylcarbamoylamino)-4,4,4-trifluoro-but-2-enoate
IUPAC
ethyl (Z)-3-(dimethylcarbamoylamino)-4,4,4-trifluorobut-2-enoate

Names & synonyms

Ethyl (Z)-3-(dimethylcarbamoylamino)-4,4,4-trifluoro-but-2-enoate289044-75-3Ethyl 3-[(N,N-dimethylcarbamoyl)amino]-4,4,4-trifluorocrotonateSCHEMBL7460850Ethyl 3-[(N,N-dimethylcarbamoyl) amino]-4,4,4-trifluorocrotonateethyl 3-[N-(N,N-dimethylcarbamoyl)-amino]-4,4,4-trifluorocrotonate

Database identifiers

PubChem CID
11334267

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
58.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
17

Related reactions

3 records

Linked notes

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