ethyl 2-(5-chloro-2-fluoro-3-methylphenyl)acetate

C11H12ClFO2 — CID 171028434

IUPACethyl 2-(5-chloro-2-fluoro-3-methylphenyl)acetate
SMILESCCOC(=O)Cc1cc(Cl)cc(C)c1F
InChIInChI=1S/C11H12ClFO2/c1-3-15-10(14)6-8-5-9(12)4-7(2)11(8)13/h4-5H,3,6H2,1-2H3
InChIKeySCBZOAJJKQCFKZ-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.89
Rot. Bonds3

About ethyl 2-(5-chloro-2-fluoro-3-methylphenyl)acetate

ethyl 2-(5-chloro-2-fluoro-3-methylphenyl)acetate (PubChem CID 171028434) has the molecular formula C11H12ClFO2 and a molecular weight of 230.67 g/mol. Its IUPAC name is ethyl 2-(5-chloro-2-fluoro-3-methylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-chloro-2-fluoro-3-methylphenyl)acetate
PubChem CID171028434
Molecular FormulaC11H12ClFO2
Molecular Weight230.67 g/mol
Exact Mass230.05
IUPAC Nameethyl 2-(5-chloro-2-fluoro-3-methylphenyl)acetate
SMILESCCOC(=O)Cc1cc(Cl)cc(C)c1F
InChIInChI=1S/C11H12ClFO2/c1-3-15-10(14)6-8-5-9(12)4-7(2)11(8)13/h4-5H,3,6H2,1-2H3
InChIKeySCBZOAJJKQCFKZ-UHFFFAOYSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(3,5-dichloro-2-fluorophenyl)acetate
CID 121228349
5-chloro-1-ethyl-2-fluoro-3-methylbenzene
CID 130776841
ethyl 2-(5-cyano-2-fluoro-3-methylphenyl)acetate
CID 134633593
ethyl 2-[2-(bromomethyl)-4-chloro-6-methylphenyl]acetate
CID 171013601
ethyl 2-(2,3-dibromo-5-chlorophenyl)acetate
CID 171033815
ethyl 2-(5-chloro-2-fluoro-4-methylphenyl)acetate
CID 134614344
ethyl 2-(4-chloro-3-fluoro-2-methylphenyl)acetate
CID 171030020
ethyl 2-[5-chloro-2-(trifluoromethyl)phenyl]acetate
CID 66765121
ethyl 2-(3,5-dibromo-2-fluorophenyl)acetate
CID 121228103
ethyl 2-[3-(bromomethyl)-2-fluoro-5-methylphenyl]acetate
CID 171017762
ethyl 2-(2,6-dibromo-4-chlorophenyl)acetate
CID 171033814
methyl 2-(3,5-dichloro-2-fluorophenyl)acetate
CID 121228358

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-chloro-2-fluoro-3-methylphenyl)acetate?
The IUPAC name of ethyl 2-(5-chloro-2-fluoro-3-methylphenyl)acetate (CID 171028434) is ethyl 2-(5-chloro-2-fluoro-3-methylphenyl)acetate.
What is the SMILES notation for ethyl 2-(5-chloro-2-fluoro-3-methylphenyl)acetate?
The canonical SMILES for ethyl 2-(5-chloro-2-fluoro-3-methylphenyl)acetate is CCOC(=O)Cc1cc(Cl)cc(C)c1F.
What is the InChIKey of ethyl 2-(5-chloro-2-fluoro-3-methylphenyl)acetate?
The InChIKey is SCBZOAJJKQCFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO2/c1-3-15-10(14)6-8-5-9(12)4-7(2)11(8)13/h4-5H,3,6H2,1-2H3.
What are the key properties of ethyl 2-(5-chloro-2-fluoro-3-methylphenyl)acetate?
ethyl 2-(5-chloro-2-fluoro-3-methylphenyl)acetate has a molecular weight of 230.67 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-chloro-2-fluoro-3-methylphenyl)acetate is sourced from PubChem (CID 171028434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).