2-(4-fluoro-3-methylphenoxy)acetyl chloride

C9H8ClFO2 — CID 59775204

IUPAC2-(4-fluoro-3-methylphenoxy)acetyl chloride
SMILESCc1cc(OCC(=O)Cl)ccc1F
InChIInChI=1S/C9H8ClFO2/c1-6-4-7(2-3-8(6)11)13-5-9(10)12/h2-4H,5H2,1H3
InChIKeyFZOKDFBWDYNYJB-UHFFFAOYSA-N
MW202.61 g/mol
LogP2.28
Rot. Bonds3

About 2-(4-fluoro-3-methylphenoxy)acetyl chloride

2-(4-fluoro-3-methylphenoxy)acetyl chloride (PubChem CID 59775204) has the molecular formula C9H8ClFO2 and a molecular weight of 202.61 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenoxy)acetyl chloride.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenoxy)acetyl chloride
PubChem CID59775204
Molecular FormulaC9H8ClFO2
Molecular Weight202.61 g/mol
Exact Mass202.02
IUPAC Name2-(4-fluoro-3-methylphenoxy)acetyl chloride
SMILESCc1cc(OCC(=O)Cl)ccc1F
InChIInChI=1S/C9H8ClFO2/c1-6-4-7(2-3-8(6)11)13-5-9(10)12/h2-4H,5H2,1H3
InChIKeyFZOKDFBWDYNYJB-UHFFFAOYSA-N
XLogP2.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.61
LogP ≤ 52.28
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-(4-fluoro-3-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 81421514
N-cyclopropyl-N-ethyl-2-(4-fluoro-3-methylphenoxy)acetamide
CID 81421978
ethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene
CID 145070405
2-(7-methylnaphthalen-2-yl)oxyacetyl chloride
CID 139664130
(4-fluoro-3-methylphenyl) propanoate
CID 118592846
2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)ethanone
CID 105095876
2-(3,5-difluorophenoxy)acetyl chloride
CID 168917412
N-(5-chloro-2-fluorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 2554397
ethane;2-(3-fluoro-4-methylphenoxy)acetic acid
CID 155714293
4-fluoro-2-[(4-fluoro-3-methylphenoxy)methyl]benzoic acid
CID 104637832
2-(4-tert-butylphenoxy)acetyl chloride
CID 611195
2-[4-(1,1-difluoroethoxy)phenoxy]acetyl chloride
CID 142905158

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenoxy)acetyl chloride?
The IUPAC name of 2-(4-fluoro-3-methylphenoxy)acetyl chloride (CID 59775204) is 2-(4-fluoro-3-methylphenoxy)acetyl chloride.
What is the SMILES notation for 2-(4-fluoro-3-methylphenoxy)acetyl chloride?
The canonical SMILES for 2-(4-fluoro-3-methylphenoxy)acetyl chloride is Cc1cc(OCC(=O)Cl)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methylphenoxy)acetyl chloride?
The InChIKey is FZOKDFBWDYNYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO2/c1-6-4-7(2-3-8(6)11)13-5-9(10)12/h2-4H,5H2,1H3.
What are the key properties of 2-(4-fluoro-3-methylphenoxy)acetyl chloride?
2-(4-fluoro-3-methylphenoxy)acetyl chloride has a molecular weight of 202.61 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenoxy)acetyl chloride is sourced from PubChem (CID 59775204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).