(E)-1-(4-fluorophenyl)-3-(2-nitrophenyl)prop-2-en-1-one

C15H10FNO3 — CID 5346493

IUPAC(E)-1-(4-fluorophenyl)-3-(2-nitrophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccc(F)cc1
InChIInChI=1S/C15H10FNO3/c16-13-8-5-12(6-9-13)15(18)10-7-11-3-1-2-4-14(11)17(19)20/h1-10H/b10-7+
InChIKeyZBBRTLSRNUZSTP-JXMROGBWSA-N
MW271.25 g/mol
LogP3.63
Rot. Bonds4

About (E)-1-(4-fluorophenyl)-3-(2-nitrophenyl)prop-2-en-1-one

(E)-1-(4-fluorophenyl)-3-(2-nitrophenyl)prop-2-en-1-one (PubChem CID 5346493) has the molecular formula C15H10FNO3 and a molecular weight of 271.25 g/mol. Its IUPAC name is (E)-1-(4-fluorophenyl)-3-(2-nitrophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-fluorophenyl)-3-(2-nitrophenyl)prop-2-en-1-one
PubChem CID5346493
Molecular FormulaC15H10FNO3
Molecular Weight271.25 g/mol
Exact Mass271.06
IUPAC Name(E)-1-(4-fluorophenyl)-3-(2-nitrophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccc(F)cc1
InChIInChI=1S/C15H10FNO3/c16-13-8-5-12(6-9-13)15(18)10-7-11-3-1-2-4-14(11)17(19)20/h1-10H/b10-7+
InChIKeyZBBRTLSRNUZSTP-JXMROGBWSA-N
XLogP3.63
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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CID 5377323
m-Nitroacetophenone
CID 8494
2'-Nitroacetophenone
CID 11346
p-Nitroacetophenone
CID 7487
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1,2-Bis(3-nitrophenyl)-1,2-ethanedione
CID 101375
2-Propen-1-one, 3-(3-nitrophenyl)-1-phenyl-
CID 5369664
1-(4-Methyl-3-nitro-phenyl)-2-phenyl-ethane-1,2-dione
CID 4384851
4-Nitrobenzil
CID 283893
1,2-Bis(4-nitrophenyl)ethane-1,2-dione
CID 1812008
2-Amino-5-nitrobenzophenone
CID 15681
7-Nitro-1-tetralone
CID 38445

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-fluorophenyl)-3-(2-nitrophenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-fluorophenyl)-3-(2-nitrophenyl)prop-2-en-1-one (CID 5346493) is (E)-1-(4-fluorophenyl)-3-(2-nitrophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-fluorophenyl)-3-(2-nitrophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-fluorophenyl)-3-(2-nitrophenyl)prop-2-en-1-one is O=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccc(F)cc1.
What is the InChIKey of (E)-1-(4-fluorophenyl)-3-(2-nitrophenyl)prop-2-en-1-one?
The InChIKey is ZBBRTLSRNUZSTP-JXMROGBWSA-N. The full InChI is InChI=1S/C15H10FNO3/c16-13-8-5-12(6-9-13)15(18)10-7-11-3-1-2-4-14(11)17(19)20/h1-10H/b10-7+.
What are the key properties of (E)-1-(4-fluorophenyl)-3-(2-nitrophenyl)prop-2-en-1-one?
(E)-1-(4-fluorophenyl)-3-(2-nitrophenyl)prop-2-en-1-one has a molecular weight of 271.25 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-fluorophenyl)-3-(2-nitrophenyl)prop-2-en-1-one is sourced from PubChem (CID 5346493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).