2-(2-chloro-6-fluorophenyl)-1-(5-nitrofuran-2-yl)ethanone

C12H7ClFNO4 — CID 61056056

IUPAC2-(2-chloro-6-fluorophenyl)-1-(5-nitrofuran-2-yl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C12H7ClFNO4/c13-8-2-1-3-9(14)7(8)6-10(16)11-4-5-12(19-11)15(17)18/h1-5H,6H2
InChIKeyXFPZYILXGUGCML-UHFFFAOYSA-N
MW283.64 g/mol
LogP3.41
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-1-(5-nitrofuran-2-yl)ethanone

2-(2-chloro-6-fluorophenyl)-1-(5-nitrofuran-2-yl)ethanone (PubChem CID 61056056) has the molecular formula C12H7ClFNO4 and a molecular weight of 283.64 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(5-nitrofuran-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(5-nitrofuran-2-yl)ethanone
PubChem CID61056056
Molecular FormulaC12H7ClFNO4
Molecular Weight283.64 g/mol
Exact Mass283.00
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(5-nitrofuran-2-yl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C12H7ClFNO4/c13-8-2-1-3-9(14)7(8)6-10(16)11-4-5-12(19-11)15(17)18/h1-5H,6H2
InChIKeyXFPZYILXGUGCML-UHFFFAOYSA-N
XLogP3.41
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.64
LogP ≤ 53.41
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

(2-chloro-6-fluorophenyl)methyl 5-nitrofuran-2-carboxylate
CID 2418183
2-(2-chloro-6-fluorophenyl)-1-(4-ethylphenyl)ethanone
CID 43160436
2-bromo-1-(5-nitrofuran-2-yl)ethanone
CID 11241786
2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105349147
[2-(2-chlorophenyl)-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 9454834
1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 107475686
2-(2-chloro-6-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanone
CID 63749070
2-(2-chloro-6-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone
CID 114024581
2-(3-chloro-2-fluorophenyl)-3-(5-nitrofuran-2-yl)-3-oxopropanenitrile
CID 82789117
1-(2-chloro-6-fluorophenyl)-3-(4-iodophenyl)propan-2-one
CID 65478707
1-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 61496199
N-[(4-chlorophenyl)methyl]-5-nitrofuran-2-carboxamide
CID 17146050

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(5-nitrofuran-2-yl)ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(5-nitrofuran-2-yl)ethanone (CID 61056056) is 2-(2-chloro-6-fluorophenyl)-1-(5-nitrofuran-2-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(5-nitrofuran-2-yl)ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(5-nitrofuran-2-yl)ethanone is O=C(Cc1c(F)cccc1Cl)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(5-nitrofuran-2-yl)ethanone?
The InChIKey is XFPZYILXGUGCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNO4/c13-8-2-1-3-9(14)7(8)6-10(16)11-4-5-12(19-11)15(17)18/h1-5H,6H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(5-nitrofuran-2-yl)ethanone?
2-(2-chloro-6-fluorophenyl)-1-(5-nitrofuran-2-yl)ethanone has a molecular weight of 283.64 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(5-nitrofuran-2-yl)ethanone is sourced from PubChem (CID 61056056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).