(7-fluoro-1-benzofuran-2-yl)-(4-nitrophenyl)methanone

C15H8FNO4 — CID 115957451

IUPAC(7-fluoro-1-benzofuran-2-yl)-(4-nitrophenyl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H8FNO4/c16-12-3-1-2-10-8-13(21-15(10)12)14(18)9-4-6-11(7-5-9)17(19)20/h1-8H
InChIKeyGQCJVDCSCRSLCX-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.71
Rot. Bonds3

About (7-fluoro-1-benzofuran-2-yl)-(4-nitrophenyl)methanone

(7-fluoro-1-benzofuran-2-yl)-(4-nitrophenyl)methanone (PubChem CID 115957451) has the molecular formula C15H8FNO4 and a molecular weight of 285.23 g/mol. Its IUPAC name is (7-fluoro-1-benzofuran-2-yl)-(4-nitrophenyl)methanone.

Molecular Properties

Compound Name(7-fluoro-1-benzofuran-2-yl)-(4-nitrophenyl)methanone
PubChem CID115957451
Molecular FormulaC15H8FNO4
Molecular Weight285.23 g/mol
Exact Mass285.04
IUPAC Name(7-fluoro-1-benzofuran-2-yl)-(4-nitrophenyl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H8FNO4/c16-12-3-1-2-10-8-13(21-15(10)12)14(18)9-4-6-11(7-5-9)17(19)20/h1-8H
InChIKeyGQCJVDCSCRSLCX-UHFFFAOYSA-N
XLogP3.71
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3,5-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957454
(3-bromo-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809878
(7-fluoro-1-benzofuran-2-yl)-(5-iodothiophen-3-yl)methanone
CID 115810047
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
(7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanone
CID 114725192
(5-bromo-2-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809828
(2-bromo-3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 107538168
(7-fluoro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanone
CID 112614555
(3-fluorophenyl)-(4-nitrophenyl)methanone
CID 24722816
(4-hydroxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone
CID 154334241
(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 106865191
(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone
CID 114725112

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(4-nitrophenyl)methanone?
The IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(4-nitrophenyl)methanone (CID 115957451) is (7-fluoro-1-benzofuran-2-yl)-(4-nitrophenyl)methanone.
What is the SMILES notation for (7-fluoro-1-benzofuran-2-yl)-(4-nitrophenyl)methanone?
The canonical SMILES for (7-fluoro-1-benzofuran-2-yl)-(4-nitrophenyl)methanone is O=C(c1ccc([N+](=O)[O-])cc1)c1cc2cccc(F)c2o1.
What is the InChIKey of (7-fluoro-1-benzofuran-2-yl)-(4-nitrophenyl)methanone?
The InChIKey is GQCJVDCSCRSLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8FNO4/c16-12-3-1-2-10-8-13(21-15(10)12)14(18)9-4-6-11(7-5-9)17(19)20/h1-8H.
What are the key properties of (7-fluoro-1-benzofuran-2-yl)-(4-nitrophenyl)methanone?
(7-fluoro-1-benzofuran-2-yl)-(4-nitrophenyl)methanone has a molecular weight of 285.23 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1-benzofuran-2-yl)-(4-nitrophenyl)methanone is sourced from PubChem (CID 115957451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).