(E)-1-(4-fluorophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one

C19H12FNO4 — CID 5340558

IUPAC(E)-1-(4-fluorophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(F)cc1
InChIInChI=1S/C19H12FNO4/c20-14-7-5-13(6-8-14)18(22)11-9-15-10-12-19(25-15)16-3-1-2-4-17(16)21(23)24/h1-12H/b11-9+
InChIKeyRZKYUVJGAUFHJN-PKNBQFBNSA-N
MW337.31 g/mol
LogP4.89
Rot. Bonds5

About (E)-1-(4-fluorophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one

(E)-1-(4-fluorophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one (PubChem CID 5340558) has the molecular formula C19H12FNO4 and a molecular weight of 337.31 g/mol. Its IUPAC name is (E)-1-(4-fluorophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-fluorophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one
PubChem CID5340558
Molecular FormulaC19H12FNO4
Molecular Weight337.31 g/mol
Exact Mass337.08
IUPAC Name(E)-1-(4-fluorophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(F)cc1
InChIInChI=1S/C19H12FNO4/c20-14-7-5-13(6-8-14)18(22)11-9-15-10-12-19(25-15)16-3-1-2-4-17(16)21(23)24/h1-12H/b11-9+
InChIKeyRZKYUVJGAUFHJN-PKNBQFBNSA-N
XLogP4.89
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,5-Bis-(4-nitro-phenyl)-furan
CID 2818433
5-(2-Nitrophenyl)-2-furaldehyde
CID 673649
(Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
CID 718081
4-{[5-(2-nitrophenyl)-2-furyl]methylene}-3-phenyl-5(4H)-isoxazolone
CID 2301119
4-{(E)-2-[5-(2-nitrophenyl)furan-2-yl]ethenyl}-6-(trifluoromethyl)pyrimidin-2(1H)-one
CID 5339219
3-(5-(2-Nitrophenyl)-2-furyl)-1-(2-thienyl)-2-propen-1-one
CID 5723982
Ethyl (2Z)-2-[(Z)-benzoyl]-3-[5-(3-nitrophenyl)furan-2-YL]prop-2-enoate
CID 5760102
1-[5-Acetyl-2,6-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-1,4-dihydropyridin-3-yl]ethanone
CID 1345511
(2E)-2-cyano-N-methyl-3-[5-(2-nitrophenyl)(2-furyl)]prop-2-enamide
CID 782463
3-[5-(2-Nitro-phenyl)-furan-2-yl]-2-phenyl-acrylic acid
CID 820959
(4Z)-4-[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 1619531
2-(ethylthio)-4-{[5-(2-nitrophenyl)-2-furyl]methylene}-1,3-thiazol-5(4H)-one
CID 2230620

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-fluorophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one?
The IUPAC name of (E)-1-(4-fluorophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one (CID 5340558) is (E)-1-(4-fluorophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-fluorophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-fluorophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one is O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(F)cc1.
What is the InChIKey of (E)-1-(4-fluorophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one?
The InChIKey is RZKYUVJGAUFHJN-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H12FNO4/c20-14-7-5-13(6-8-14)18(22)11-9-15-10-12-19(25-15)16-3-1-2-4-17(16)21(23)24/h1-12H/b11-9+.
What are the key properties of (E)-1-(4-fluorophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one?
(E)-1-(4-fluorophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one has a molecular weight of 337.31 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-fluorophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one is sourced from PubChem (CID 5340558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).