2-fluoro-6-methoxy-4-methylbenzoyl chloride

C9H8ClFO2 — CID 171014950

IUPAC2-fluoro-6-methoxy-4-methylbenzoyl chloride
SMILESCOc1cc(C)cc(F)c1C(=O)Cl
InChIInChI=1S/C9H8ClFO2/c1-5-3-6(11)8(9(10)12)7(4-5)13-2/h3-4H,1-2H3
InChIKeyBXXCQSYCFGAMQD-UHFFFAOYSA-N
MW202.61 g/mol
LogP2.52
Rot. Bonds2

About 2-fluoro-6-methoxy-4-methylbenzoyl chloride

2-fluoro-6-methoxy-4-methylbenzoyl chloride (PubChem CID 171014950) has the molecular formula C9H8ClFO2 and a molecular weight of 202.61 g/mol. Its IUPAC name is 2-fluoro-6-methoxy-4-methylbenzoyl chloride.

Molecular Properties

Compound Name2-fluoro-6-methoxy-4-methylbenzoyl chloride
PubChem CID171014950
Molecular FormulaC9H8ClFO2
Molecular Weight202.61 g/mol
Exact Mass202.02
IUPAC Name2-fluoro-6-methoxy-4-methylbenzoyl chloride
SMILESCOc1cc(C)cc(F)c1C(=O)Cl
InChIInChI=1S/C9H8ClFO2/c1-5-3-6(11)8(9(10)12)7(4-5)13-2/h3-4H,1-2H3
InChIKeyBXXCQSYCFGAMQD-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.61
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-methoxy-4-methylbenzoyl chloride
CID 171008459
2,6-dimethoxybenzene-1,4-dicarbonyl chloride
CID 54570871
4-chloro-2,6-dimethoxybenzoyl chloride
CID 21317234
3-methoxy-5-methylphthalic acid
CID 12908895
(3-chloro-4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106679955
4-chloro-2-fluoro-6-methoxybenzoic acid
CID 53399475
2,6-dichloro-3,5-dimethoxybenzoyl chloride
CID 156633344
2-fluoro-6-methoxy-4-methylbenzaldehyde
CID 74891129
3-bromo-6-methoxy-2,4-dimethylbenzoyl chloride
CID 50883161
2,6-difluoro-4-methylbenzoate
CID 86307703
2-bromo-6-methoxy-4-methylbenzoic acid
CID 84802763
1-(2,3-dimethoxy-5-methylphenyl)ethanone;ethane
CID 144776470

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methoxy-4-methylbenzoyl chloride?
The IUPAC name of 2-fluoro-6-methoxy-4-methylbenzoyl chloride (CID 171014950) is 2-fluoro-6-methoxy-4-methylbenzoyl chloride.
What is the SMILES notation for 2-fluoro-6-methoxy-4-methylbenzoyl chloride?
The canonical SMILES for 2-fluoro-6-methoxy-4-methylbenzoyl chloride is COc1cc(C)cc(F)c1C(=O)Cl.
What is the InChIKey of 2-fluoro-6-methoxy-4-methylbenzoyl chloride?
The InChIKey is BXXCQSYCFGAMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO2/c1-5-3-6(11)8(9(10)12)7(4-5)13-2/h3-4H,1-2H3.
What are the key properties of 2-fluoro-6-methoxy-4-methylbenzoyl chloride?
2-fluoro-6-methoxy-4-methylbenzoyl chloride has a molecular weight of 202.61 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methoxy-4-methylbenzoyl chloride is sourced from PubChem (CID 171014950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).