3-fluoro-5-formyl-4-methoxybenzoyl chloride

C9H6ClFO3 — CID 163229934

IUPAC3-fluoro-5-formyl-4-methoxybenzoyl chloride
SMILESCOc1c(F)cc(C(=O)Cl)cc1C=O
InChIInChI=1S/C9H6ClFO3/c1-14-8-6(4-12)2-5(9(10)13)3-7(8)11/h2-4H,1H3
InChIKeyGSFLMHGLFXXPQI-UHFFFAOYSA-N
MW216.59 g/mol
LogP2.03
Rot. Bonds3

About 3-fluoro-5-formyl-4-methoxybenzoyl chloride

3-fluoro-5-formyl-4-methoxybenzoyl chloride (PubChem CID 163229934) has the molecular formula C9H6ClFO3 and a molecular weight of 216.59 g/mol. Its IUPAC name is 3-fluoro-5-formyl-4-methoxybenzoyl chloride.

Molecular Properties

Compound Name3-fluoro-5-formyl-4-methoxybenzoyl chloride
PubChem CID163229934
Molecular FormulaC9H6ClFO3
Molecular Weight216.59 g/mol
Exact Mass216.00
IUPAC Name3-fluoro-5-formyl-4-methoxybenzoyl chloride
SMILESCOc1c(F)cc(C(=O)Cl)cc1C=O
InChIInChI=1S/C9H6ClFO3/c1-14-8-6(4-12)2-5(9(10)13)3-7(8)11/h2-4H,1H3
InChIKeyGSFLMHGLFXXPQI-UHFFFAOYSA-N
XLogP2.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.59
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoro-5-formyl-4-methoxyphenyl)acetamide
CID 84781458
3,5-difluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84770629
3-formyl-5-iodo-2-methoxybenzoyl chloride
CID 171015865
1-(3,5-difluoro-4-methoxyphenyl)ethanone
CID 2736983
5-chloro-3-fluoro-2,4-dimethoxybenzaldehyde
CID 84684172
methyl 3-fluoro-5-formamido-4-methoxybenzoate
CID 168652166
CID 172747155
CID 172747155
(E)-3-(3-fluoro-5-formyl-2-methoxyphenyl)prop-2-enoic acid
CID 171009921
3-formyl-5-iodo-4-(trifluoromethyl)benzoyl chloride
CID 171021819
4-fluoro-3-formyl-2-methoxybenzoyl chloride
CID 171009671
4-(3-chloropropoxy)-3,5-difluorobenzoyl chloride
CID 87475969
methyl 2-(5-fluoro-3-formyl-2-methoxyphenyl)acetate
CID 171010529

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-formyl-4-methoxybenzoyl chloride?
The IUPAC name of 3-fluoro-5-formyl-4-methoxybenzoyl chloride (CID 163229934) is 3-fluoro-5-formyl-4-methoxybenzoyl chloride.
What is the SMILES notation for 3-fluoro-5-formyl-4-methoxybenzoyl chloride?
The canonical SMILES for 3-fluoro-5-formyl-4-methoxybenzoyl chloride is COc1c(F)cc(C(=O)Cl)cc1C=O.
What is the InChIKey of 3-fluoro-5-formyl-4-methoxybenzoyl chloride?
The InChIKey is GSFLMHGLFXXPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFO3/c1-14-8-6(4-12)2-5(9(10)13)3-7(8)11/h2-4H,1H3.
What are the key properties of 3-fluoro-5-formyl-4-methoxybenzoyl chloride?
3-fluoro-5-formyl-4-methoxybenzoyl chloride has a molecular weight of 216.59 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-formyl-4-methoxybenzoyl chloride is sourced from PubChem (CID 163229934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).