methyl 2-ethyl-6-(trifluoromethyl)benzoate

C11H11F3O2 — CID 162602543

IUPACmethyl 2-ethyl-6-(trifluoromethyl)benzoate
SMILESCCc1cccc(C(F)(F)F)c1C(=O)OC
InChIInChI=1S/C11H11F3O2/c1-3-7-5-4-6-8(11(12,13)14)9(7)10(15)16-2/h4-6H,3H2,1-2H3
InChIKeyHVMDAYYCMQUOJE-UHFFFAOYSA-N
MW232.20 g/mol
LogP3.05
Rot. Bonds2

About methyl 2-ethyl-6-(trifluoromethyl)benzoate

methyl 2-ethyl-6-(trifluoromethyl)benzoate (PubChem CID 162602543) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is methyl 2-ethyl-6-(trifluoromethyl)benzoate.

Molecular Properties

Compound Namemethyl 2-ethyl-6-(trifluoromethyl)benzoate
PubChem CID162602543
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Namemethyl 2-ethyl-6-(trifluoromethyl)benzoate
SMILESCCc1cccc(C(F)(F)F)c1C(=O)OC
InChIInChI=1S/C11H11F3O2/c1-3-7-5-4-6-8(11(12,13)14)9(7)10(15)16-2/h4-6H,3H2,1-2H3
InChIKeyHVMDAYYCMQUOJE-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-ethyl-6-(trifluoromethyl)phenyl]ethanone
CID 149400336
methyl 2-bromo-6-(trifluoromethyl)benzoate
CID 46311085
methyl 2-methylsulfanyl-6-(trifluoromethyl)benzoate
CID 91880964
ethyl 2-(2-oxopropyl)-6-(trifluoromethyl)benzoate
CID 134640898
methyl 2-nitro-6-(trifluoromethyl)benzoate
CID 46311175
methyl 2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]benzoate
CID 134623083
ethyl 2-(2-cyanoethyl)-6-(trifluoromethyl)benzoate
CID 134640914
methyl 2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]benzoate
CID 134622903
methyl 2-(trifluoromethyl)benzoate
CID 2775578
methyl 2-oxo-3-[2-(trifluoromethyl)phenyl]propanoate
CID 18370722
1-[2-methoxy-6-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 117369605
dimethyl 2,6-diethyl-1-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
CID 71575868

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-6-(trifluoromethyl)benzoate?
The IUPAC name of methyl 2-ethyl-6-(trifluoromethyl)benzoate (CID 162602543) is methyl 2-ethyl-6-(trifluoromethyl)benzoate.
What is the SMILES notation for methyl 2-ethyl-6-(trifluoromethyl)benzoate?
The canonical SMILES for methyl 2-ethyl-6-(trifluoromethyl)benzoate is CCc1cccc(C(F)(F)F)c1C(=O)OC.
What is the InChIKey of methyl 2-ethyl-6-(trifluoromethyl)benzoate?
The InChIKey is HVMDAYYCMQUOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c1-3-7-5-4-6-8(11(12,13)14)9(7)10(15)16-2/h4-6H,3H2,1-2H3.
What are the key properties of methyl 2-ethyl-6-(trifluoromethyl)benzoate?
methyl 2-ethyl-6-(trifluoromethyl)benzoate has a molecular weight of 232.20 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-6-(trifluoromethyl)benzoate is sourced from PubChem (CID 162602543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).