2-fluoro-3,4-dimethoxybenzoyl chloride

C9H8ClFO3 — CID 130787078

IUPAC2-fluoro-3,4-dimethoxybenzoyl chloride
SMILESCOc1ccc(C(=O)Cl)c(F)c1OC
InChIInChI=1S/C9H8ClFO3/c1-13-6-4-3-5(9(10)12)7(11)8(6)14-2/h3-4H,1-2H3
InChIKeyWAYJJQSJOKIXJV-UHFFFAOYSA-N
MW218.61 g/mol
LogP2.22
Rot. Bonds3

About 2-fluoro-3,4-dimethoxybenzoyl chloride

2-fluoro-3,4-dimethoxybenzoyl chloride (PubChem CID 130787078) has the molecular formula C9H8ClFO3 and a molecular weight of 218.61 g/mol. Its IUPAC name is 2-fluoro-3,4-dimethoxybenzoyl chloride.

Molecular Properties

Compound Name2-fluoro-3,4-dimethoxybenzoyl chloride
PubChem CID130787078
Molecular FormulaC9H8ClFO3
Molecular Weight218.61 g/mol
Exact Mass218.01
IUPAC Name2-fluoro-3,4-dimethoxybenzoyl chloride
SMILESCOc1ccc(C(=O)Cl)c(F)c1OC
InChIInChI=1S/C9H8ClFO3/c1-13-6-4-3-5(9(10)12)7(11)8(6)14-2/h3-4H,1-2H3
InChIKeyWAYJJQSJOKIXJV-UHFFFAOYSA-N
XLogP2.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.61
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoro-3,4-dimethoxyphenyl)-2-oxoacetic acid
CID 117328183
2,4,5-trifluoro-3-methoxybenzoyl chloride
CID 2775281
1,2-difluoro-3,4-dimethoxybenzene
CID 67100030
(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone
CID 43588922
4-fluoro-3-formyl-2-methoxybenzoyl chloride
CID 171009671
5-(3-carbonochloridoyl-4-methoxyphenyl)sulfanyl-2-methoxybenzoyl chloride
CID 10714255
2-iodo-4-methoxy-3-methylbenzoyl chloride
CID 171011084
2-fluoro-3,4-dimethoxybenzenesulfonyl chloride
CID 84708317
(2-fluoro-3-methylphenyl) 2,3,4-trimethoxybenzoate
CID 75451380
2-fluoro-3,4-dimethoxybenzenethiol
CID 130971498
4-iodo-2,3-dimethoxybenzoyl chloride
CID 131075757
3-fluoro-2-methoxy-4-piperidin-1-ylbenzoyl chloride
CID 142147493

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,4-dimethoxybenzoyl chloride?
The IUPAC name of 2-fluoro-3,4-dimethoxybenzoyl chloride (CID 130787078) is 2-fluoro-3,4-dimethoxybenzoyl chloride.
What is the SMILES notation for 2-fluoro-3,4-dimethoxybenzoyl chloride?
The canonical SMILES for 2-fluoro-3,4-dimethoxybenzoyl chloride is COc1ccc(C(=O)Cl)c(F)c1OC.
What is the InChIKey of 2-fluoro-3,4-dimethoxybenzoyl chloride?
The InChIKey is WAYJJQSJOKIXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO3/c1-13-6-4-3-5(9(10)12)7(11)8(6)14-2/h3-4H,1-2H3.
What are the key properties of 2-fluoro-3,4-dimethoxybenzoyl chloride?
2-fluoro-3,4-dimethoxybenzoyl chloride has a molecular weight of 218.61 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,4-dimethoxybenzoyl chloride is sourced from PubChem (CID 130787078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).