methyl 2-(3,5-dichloro-2-fluorophenyl)acetate

C9H7Cl2FO2 — CID 121228358

IUPACmethyl 2-(3,5-dichloro-2-fluorophenyl)acetate
SMILESCOC(=O)Cc1cc(Cl)cc(Cl)c1F
InChIInChI=1S/C9H7Cl2FO2/c1-14-8(13)3-5-2-6(10)4-7(11)9(5)12/h2,4H,3H2,1H3
InChIKeyXZICIRIJEDTSLW-UHFFFAOYSA-N
MW237.06 g/mol
LogP2.85
Rot. Bonds2

About methyl 2-(3,5-dichloro-2-fluorophenyl)acetate

methyl 2-(3,5-dichloro-2-fluorophenyl)acetate (PubChem CID 121228358) has the molecular formula C9H7Cl2FO2 and a molecular weight of 237.06 g/mol. Its IUPAC name is methyl 2-(3,5-dichloro-2-fluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3,5-dichloro-2-fluorophenyl)acetate
PubChem CID121228358
Molecular FormulaC9H7Cl2FO2
Molecular Weight237.06 g/mol
Exact Mass235.98
IUPAC Namemethyl 2-(3,5-dichloro-2-fluorophenyl)acetate
SMILESCOC(=O)Cc1cc(Cl)cc(Cl)c1F
InChIInChI=1S/C9H7Cl2FO2/c1-14-8(13)3-5-2-6(10)4-7(11)9(5)12/h2,4H,3H2,1H3
InChIKeyXZICIRIJEDTSLW-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.06
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(3,5-dichloro-2-fluorophenyl)acetate
CID 121228349
methyl 2-(3,5-dichloro-2-nitrophenyl)acetate
CID 134890332
methyl 2-(2,5-dichloro-3-hydroxyphenyl)acetate
CID 130779138
methyl 2-(2,3-dibromo-5-chlorophenyl)acetate
CID 171033944
methyl 2-(3-chloro-5-fluoro-2-methylphenyl)acetate
CID 130837002
methyl 2-(2-amino-4,6-dichlorophenyl)acetate
CID 131482461
ethyl 2-(5-chloro-2-fluoro-3-methylphenyl)acetate
CID 171028434
methyl 2-(3,4-dibromo-2,5-difluorophenyl)acetate
CID 121228008
methyl 2-[2-chloro-3-fluoro-4-(trifluoromethyl)phenyl]acetate
CID 171030057
methyl 2-(4,5-dichloro-2-methoxyphenyl)acetate
CID 82553977
methyl 2-[2-(chloromethyl)-4,5-difluorophenyl]acetate
CID 171019400
methyl 2-(5-bromo-2-fluoro-3-hydroxyphenyl)acetate
CID 130663727

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-dichloro-2-fluorophenyl)acetate?
The IUPAC name of methyl 2-(3,5-dichloro-2-fluorophenyl)acetate (CID 121228358) is methyl 2-(3,5-dichloro-2-fluorophenyl)acetate.
What is the SMILES notation for methyl 2-(3,5-dichloro-2-fluorophenyl)acetate?
The canonical SMILES for methyl 2-(3,5-dichloro-2-fluorophenyl)acetate is COC(=O)Cc1cc(Cl)cc(Cl)c1F.
What is the InChIKey of methyl 2-(3,5-dichloro-2-fluorophenyl)acetate?
The InChIKey is XZICIRIJEDTSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2FO2/c1-14-8(13)3-5-2-6(10)4-7(11)9(5)12/h2,4H,3H2,1H3.
What are the key properties of methyl 2-(3,5-dichloro-2-fluorophenyl)acetate?
methyl 2-(3,5-dichloro-2-fluorophenyl)acetate has a molecular weight of 237.06 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-dichloro-2-fluorophenyl)acetate is sourced from PubChem (CID 121228358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).