2-fluoro-4-nitrobenzoyl chloride

C7H3ClFNO3 — CID 10420435

IUPAC2-fluoro-4-nitrobenzoyl chloride
SMILESO=C(Cl)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C7H3ClFNO3/c8-7(11)5-2-1-4(10(12)13)3-6(5)9/h1-3H
InChIKeyBUBMAUUSVWQBMS-UHFFFAOYSA-N
MW203.56 g/mol
LogP2.11
Rot. Bonds2

About 2-fluoro-4-nitrobenzoyl chloride

2-fluoro-4-nitrobenzoyl chloride (PubChem CID 10420435) has the molecular formula C7H3ClFNO3 and a molecular weight of 203.56 g/mol. Its IUPAC name is 2-fluoro-4-nitrobenzoyl chloride.

Molecular Properties

Compound Name2-fluoro-4-nitrobenzoyl chloride
PubChem CID10420435
Molecular FormulaC7H3ClFNO3
Molecular Weight203.56 g/mol
Exact Mass202.98
IUPAC Name2-fluoro-4-nitrobenzoyl chloride
SMILESO=C(Cl)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C7H3ClFNO3/c8-7(11)5-2-1-4(10(12)13)3-6(5)9/h1-3H
InChIKeyBUBMAUUSVWQBMS-UHFFFAOYSA-N
XLogP2.11
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.56
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', '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-fluoro-4-nitro-N-oxobenzamide
CID 89146767
3-(2-fluoro-4-nitrophenyl)-3-oxopropanoic acid
CID 67768369
2,5-dinitrobenzoyl chloride
CID 13033217
(3-chlorophenyl)-(2-fluoro-4-nitrophenyl)methanone
CID 11818322
2-fluoro-5-nitrobenzenecarbothioyl chloride
CID 135379049
5-nitro-2-phenylbenzoyl chloride
CID 21406523
2-fluoro-N'-methyl-4-nitrobenzenecarboximidamide
CID 142761632
N-[(E)-4-chlorobut-2-enyl]-2-fluoro-4-nitrobenzamide
CID 81429757
N-cyclopentyl-2-fluoro-4-nitrobenzamide
CID 61037803
N-(3-chloro-4-hydroxyphenyl)-2-fluoro-4-nitrobenzamide
CID 63948000
N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzamide
CID 102989137
2,3-dimethylbutanoyl 2-fluoro-4-nitrobenzoate
CID 174851123

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-nitrobenzoyl chloride?
The IUPAC name of 2-fluoro-4-nitrobenzoyl chloride (CID 10420435) is 2-fluoro-4-nitrobenzoyl chloride.
What is the SMILES notation for 2-fluoro-4-nitrobenzoyl chloride?
The canonical SMILES for 2-fluoro-4-nitrobenzoyl chloride is O=C(Cl)c1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 2-fluoro-4-nitrobenzoyl chloride?
The InChIKey is BUBMAUUSVWQBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFNO3/c8-7(11)5-2-1-4(10(12)13)3-6(5)9/h1-3H.
What are the key properties of 2-fluoro-4-nitrobenzoyl chloride?
2-fluoro-4-nitrobenzoyl chloride has a molecular weight of 203.56 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-nitrobenzoyl chloride is sourced from PubChem (CID 10420435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).