2-fluoro-4-iodo-3-nitrobenzoyl chloride

C7H2ClFINO3 — CID 171013171

IUPAC2-fluoro-4-iodo-3-nitrobenzoyl chloride
SMILESO=C(Cl)c1ccc(I)c([N+](=O)[O-])c1F
InChIInChI=1S/C7H2ClFINO3/c8-7(12)3-1-2-4(10)6(5(3)9)11(13)14/h1-2H
InChIKeyAYRLNPZMOALKMC-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.72
Rot. Bonds2

About 2-fluoro-4-iodo-3-nitrobenzoyl chloride

2-fluoro-4-iodo-3-nitrobenzoyl chloride (PubChem CID 171013171) has the molecular formula C7H2ClFINO3 and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-fluoro-4-iodo-3-nitrobenzoyl chloride.

Molecular Properties

Compound Name2-fluoro-4-iodo-3-nitrobenzoyl chloride
PubChem CID171013171
Molecular FormulaC7H2ClFINO3
Molecular Weight329.45 g/mol
Exact Mass328.88
IUPAC Name2-fluoro-4-iodo-3-nitrobenzoyl chloride
SMILESO=C(Cl)c1ccc(I)c([N+](=O)[O-])c1F
InChIInChI=1S/C7H2ClFINO3/c8-7(12)3-1-2-4(10)6(5(3)9)11(13)14/h1-2H
InChIKeyAYRLNPZMOALKMC-UHFFFAOYSA-N
XLogP2.72
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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

2,3-dinitrobenzene-1,4-dicarbonyl chloride
CID 71323152
3-cyano-4-iodo-2-nitrobenzoyl chloride
CID 171025843
4-fluoro-2-methyl-3-nitrobenzoyl chloride
CID 131056028
2,4-difluoro-3-nitrobenzoic acid
CID 69257842
4-fluoro-3-formyl-2-nitrobenzoyl chloride
CID 171014741
4-iodo-3-nitro-2-(trifluoromethyl)benzamide
CID 171018537
2-fluoro-4-nitrobenzoyl chloride
CID 10420435
2-fluoro-3,4-dinitrobenzoic acid
CID 22925593
methyl 2-fluoro-4-methyl-3-nitrobenzoate
CID 131875204
1-(3-bromo-4-iodo-2-nitrophenyl)-2-chloroethanone
CID 171001633
1,3-difluoro-5-iodo-2,4-dinitrobenzene
CID 87535078
2-nitro-3-(trifluoromethyl)benzoyl chloride
CID 131870239

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-iodo-3-nitrobenzoyl chloride?
The IUPAC name of 2-fluoro-4-iodo-3-nitrobenzoyl chloride (CID 171013171) is 2-fluoro-4-iodo-3-nitrobenzoyl chloride.
What is the SMILES notation for 2-fluoro-4-iodo-3-nitrobenzoyl chloride?
The canonical SMILES for 2-fluoro-4-iodo-3-nitrobenzoyl chloride is O=C(Cl)c1ccc(I)c([N+](=O)[O-])c1F.
What is the InChIKey of 2-fluoro-4-iodo-3-nitrobenzoyl chloride?
The InChIKey is AYRLNPZMOALKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClFINO3/c8-7(12)3-1-2-4(10)6(5(3)9)11(13)14/h1-2H.
What are the key properties of 2-fluoro-4-iodo-3-nitrobenzoyl chloride?
2-fluoro-4-iodo-3-nitrobenzoyl chloride has a molecular weight of 329.45 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-iodo-3-nitrobenzoyl chloride is sourced from PubChem (CID 171013171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).