(E)-1-(furan-2-yl)-3-[2-(trifluoromethyl)anilino]prop-2-en-1-one

C14H10F3NO2 — CID 2197353

IUPAC(E)-1-(furan-2-yl)-3-[2-(trifluoromethyl)anilino]prop-2-en-1-one
SMILESO=C(/C=C/Nc1ccccc1C(F)(F)F)c1ccco1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)10-4-1-2-5-11(10)18-8-7-12(19)13-6-3-9-20-13/h1-9,18H/b8-7+
InChIKeyWHDCFLQIOXFLHF-BQYQJAHWSA-N
MW281.23 g/mol
LogP4.11
Rot. Bonds4

About (E)-1-(furan-2-yl)-3-[2-(trifluoromethyl)anilino]prop-2-en-1-one

(E)-1-(furan-2-yl)-3-[2-(trifluoromethyl)anilino]prop-2-en-1-one (PubChem CID 2197353) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is (E)-1-(furan-2-yl)-3-[2-(trifluoromethyl)anilino]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(furan-2-yl)-3-[2-(trifluoromethyl)anilino]prop-2-en-1-one
PubChem CID2197353
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name(E)-1-(furan-2-yl)-3-[2-(trifluoromethyl)anilino]prop-2-en-1-one
SMILESO=C(/C=C/Nc1ccccc1C(F)(F)F)c1ccco1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)10-4-1-2-5-11(10)18-8-7-12(19)13-6-3-9-20-13/h1-9,18H/b8-7+
InChIKeyWHDCFLQIOXFLHF-BQYQJAHWSA-N
XLogP4.11
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-yl)-3-[2-(trifluoromethyl)anilino]prop-2-en-1-one
CID 975198
N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 727485
(E)-3-(2,3-dimethylanilino)-1-(furan-2-yl)prop-2-en-1-one
CID 126185496
(E)-3-(tert-butylamino)-1-(furan-2-yl)prop-2-en-1-one
CID 23591129
methyl 4-[[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]amino]benzoate
CID 2247349
N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]furan-2-carboxamide
CID 113034810
1-[2,2-bis(furan-2-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 131702607
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
N-[3-oxo-3-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]propyl]furan-2-carboxamide
CID 27849332
N-[(E)-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]furan-2-carboxamide
CID 126207531
N-[(2-tert-butylphenyl)carbamoyl]furan-2-carboxamide
CID 110866381
methyl (E)-3-[5-[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]-1-methylpyrrol-2-yl]prop-2-enoate
CID 146347449

Frequently Asked Questions

What is the IUPAC name of (E)-1-(furan-2-yl)-3-[2-(trifluoromethyl)anilino]prop-2-en-1-one?
The IUPAC name of (E)-1-(furan-2-yl)-3-[2-(trifluoromethyl)anilino]prop-2-en-1-one (CID 2197353) is (E)-1-(furan-2-yl)-3-[2-(trifluoromethyl)anilino]prop-2-en-1-one.
What is the SMILES notation for (E)-1-(furan-2-yl)-3-[2-(trifluoromethyl)anilino]prop-2-en-1-one?
The canonical SMILES for (E)-1-(furan-2-yl)-3-[2-(trifluoromethyl)anilino]prop-2-en-1-one is O=C(/C=C/Nc1ccccc1C(F)(F)F)c1ccco1.
What is the InChIKey of (E)-1-(furan-2-yl)-3-[2-(trifluoromethyl)anilino]prop-2-en-1-one?
The InChIKey is WHDCFLQIOXFLHF-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-14(16,17)10-4-1-2-5-11(10)18-8-7-12(19)13-6-3-9-20-13/h1-9,18H/b8-7+.
What are the key properties of (E)-1-(furan-2-yl)-3-[2-(trifluoromethyl)anilino]prop-2-en-1-one?
(E)-1-(furan-2-yl)-3-[2-(trifluoromethyl)anilino]prop-2-en-1-one has a molecular weight of 281.23 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(furan-2-yl)-3-[2-(trifluoromethyl)anilino]prop-2-en-1-one is sourced from PubChem (CID 2197353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).