(E)-3-(2,4-difluoroanilino)-1-(furan-2-yl)prop-2-en-1-one

C13H9F2NO2 — CID 2196922

IUPAC(E)-3-(2,4-difluoroanilino)-1-(furan-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/Nc1ccc(F)cc1F)c1ccco1
InChIInChI=1S/C13H9F2NO2/c14-9-3-4-11(10(15)8-9)16-6-5-12(17)13-2-1-7-18-13/h1-8,16H/b6-5+
InChIKeyKTEAKLUXZUBCOY-AATRIKPKSA-N
MW249.22 g/mol
LogP3.37
Rot. Bonds4

About (E)-3-(2,4-difluoroanilino)-1-(furan-2-yl)prop-2-en-1-one

(E)-3-(2,4-difluoroanilino)-1-(furan-2-yl)prop-2-en-1-one (PubChem CID 2196922) has the molecular formula C13H9F2NO2 and a molecular weight of 249.22 g/mol. Its IUPAC name is (E)-3-(2,4-difluoroanilino)-1-(furan-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2,4-difluoroanilino)-1-(furan-2-yl)prop-2-en-1-one
PubChem CID2196922
Molecular FormulaC13H9F2NO2
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name(E)-3-(2,4-difluoroanilino)-1-(furan-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/Nc1ccc(F)cc1F)c1ccco1
InChIInChI=1S/C13H9F2NO2/c14-9-3-4-11(10(15)8-9)16-6-5-12(17)13-2-1-7-18-13/h1-8,16H/b6-5+
InChIKeyKTEAKLUXZUBCOY-AATRIKPKSA-N
XLogP3.37
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 53.37
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

N-(3-fluorophenyl)furan-2-carboxamide
CID 306831
N-(4-Fluorophenyl)-2-furamide
CID 531893
N-(3,4-difluorophenyl)furan-2-carboxamide
CID 743722
4-{[3-(2-Furyl)-3-oxo-1-propenyl]amino}benzenesulfonamide
CID 871981
3-[[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
CID 168294418
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-furancarboxamide
CID 2221968
N-(2,4-difluorophenyl)-2-furamide
CID 755472
(E)-3-(4-(dimethylamino)phenyl)-1-(furan-2-yl)prop-2-en-1-one
CID 5839634
N-(2-fluorophenyl)furan-2-carboxamide
CID 310140
1-(2-Furyl)-3-(4-phenoxyanilino)-1-propanone
CID 855038
N-(4-fluorophenyl)-3-(2-furyl)acrylamide
CID 695778
(2E)-3-{[4-(dimethylamino)phenyl]amino}-1-(furan-2-yl)prop-2-en-1-one
CID 1980018

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-difluoroanilino)-1-(furan-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2,4-difluoroanilino)-1-(furan-2-yl)prop-2-en-1-one (CID 2196922) is (E)-3-(2,4-difluoroanilino)-1-(furan-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2,4-difluoroanilino)-1-(furan-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2,4-difluoroanilino)-1-(furan-2-yl)prop-2-en-1-one is O=C(/C=C/Nc1ccc(F)cc1F)c1ccco1.
What is the InChIKey of (E)-3-(2,4-difluoroanilino)-1-(furan-2-yl)prop-2-en-1-one?
The InChIKey is KTEAKLUXZUBCOY-AATRIKPKSA-N. The full InChI is InChI=1S/C13H9F2NO2/c14-9-3-4-11(10(15)8-9)16-6-5-12(17)13-2-1-7-18-13/h1-8,16H/b6-5+.
What are the key properties of (E)-3-(2,4-difluoroanilino)-1-(furan-2-yl)prop-2-en-1-one?
(E)-3-(2,4-difluoroanilino)-1-(furan-2-yl)prop-2-en-1-one has a molecular weight of 249.22 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-difluoroanilino)-1-(furan-2-yl)prop-2-en-1-one is sourced from PubChem (CID 2196922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).