4-fluoro-3-formyl-2-methoxybenzoyl chloride

C9H6ClFO3 — CID 171009671

IUPAC4-fluoro-3-formyl-2-methoxybenzoyl chloride
SMILESCOc1c(C(=O)Cl)ccc(F)c1C=O
InChIInChI=1S/C9H6ClFO3/c1-14-8-5(9(10)13)2-3-7(11)6(8)4-12/h2-4H,1H3
InChIKeyDUFBMAREVQZANW-UHFFFAOYSA-N
MW216.59 g/mol
LogP2.03
Rot. Bonds3

About 4-fluoro-3-formyl-2-methoxybenzoyl chloride

4-fluoro-3-formyl-2-methoxybenzoyl chloride (PubChem CID 171009671) has the molecular formula C9H6ClFO3 and a molecular weight of 216.59 g/mol. Its IUPAC name is 4-fluoro-3-formyl-2-methoxybenzoyl chloride.

Molecular Properties

Compound Name4-fluoro-3-formyl-2-methoxybenzoyl chloride
PubChem CID171009671
Molecular FormulaC9H6ClFO3
Molecular Weight216.59 g/mol
Exact Mass216.00
IUPAC Name4-fluoro-3-formyl-2-methoxybenzoyl chloride
SMILESCOc1c(C(=O)Cl)ccc(F)c1C=O
InChIInChI=1S/C9H6ClFO3/c1-14-8-5(9(10)13)2-3-7(11)6(8)4-12/h2-4H,1H3
InChIKeyDUFBMAREVQZANW-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

2-(4-fluoro-3-formyl-2-methoxyphenyl)-2-hydroxyacetic acid
CID 171009462
4-fluoro-3-formyl-2-nitrobenzoyl chloride
CID 171014741
2-fluoro-3,4-dimethoxybenzoyl chloride
CID 130787078
4-iodo-2,3-dimethoxybenzoyl chloride
CID 131075757
2,4,5-trifluoro-3-methoxybenzoyl chloride
CID 2775281
N,N-dimethylformamide;2-fluoro-4-methoxybenzoyl chloride
CID 174542772
3-fluoro-5-formyl-4-methoxybenzoyl chloride
CID 163229934
3-acetyl-2-bromo-6-fluorobenzaldehyde
CID 171001660
2,3,5,6-tetrafluoro-4-methoxybenzaldehyde
CID 91620939
2-chloro-4-fluoro-3-methoxybenzamide
CID 163198226
3-fluoro-2-methoxy-4-piperidin-1-ylbenzoyl chloride
CID 142147493
4-acetyl-6-chloro-2,3-dimethoxybenzaldehyde
CID 84703434

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-formyl-2-methoxybenzoyl chloride?
The IUPAC name of 4-fluoro-3-formyl-2-methoxybenzoyl chloride (CID 171009671) is 4-fluoro-3-formyl-2-methoxybenzoyl chloride.
What is the SMILES notation for 4-fluoro-3-formyl-2-methoxybenzoyl chloride?
The canonical SMILES for 4-fluoro-3-formyl-2-methoxybenzoyl chloride is COc1c(C(=O)Cl)ccc(F)c1C=O.
What is the InChIKey of 4-fluoro-3-formyl-2-methoxybenzoyl chloride?
The InChIKey is DUFBMAREVQZANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFO3/c1-14-8-5(9(10)13)2-3-7(11)6(8)4-12/h2-4H,1H3.
What are the key properties of 4-fluoro-3-formyl-2-methoxybenzoyl chloride?
4-fluoro-3-formyl-2-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 4-fluoro-3-formyl-2-methoxybenzoyl chloride is sourced from PubChem (CID 171009671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).