methyl 2-[2-chloro-4-methyl-6-(trifluoromethoxy)phenyl]acetate

C11H10ClF3O3 — CID 58052033

IUPACmethyl 2-[2-chloro-4-methyl-6-(trifluoromethoxy)phenyl]acetate
SMILESCOC(=O)Cc1c(Cl)cc(C)cc1OC(F)(F)F
InChIInChI=1S/C11H10ClF3O3/c1-6-3-8(12)7(5-10(16)17-2)9(4-6)18-11(13,14)15/h3-4H,5H2,1-2H3
InChIKeyPDRXKSGEBWRPRI-UHFFFAOYSA-N
MW282.65 g/mol
LogP3.26
Rot. Bonds3

About methyl 2-[2-chloro-4-methyl-6-(trifluoromethoxy)phenyl]acetate

methyl 2-[2-chloro-4-methyl-6-(trifluoromethoxy)phenyl]acetate (PubChem CID 58052033) has the molecular formula C11H10ClF3O3 and a molecular weight of 282.65 g/mol. Its IUPAC name is methyl 2-[2-chloro-4-methyl-6-(trifluoromethoxy)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-chloro-4-methyl-6-(trifluoromethoxy)phenyl]acetate
PubChem CID58052033
Molecular FormulaC11H10ClF3O3
Molecular Weight282.65 g/mol
Exact Mass282.03
IUPAC Namemethyl 2-[2-chloro-4-methyl-6-(trifluoromethoxy)phenyl]acetate
SMILESCOC(=O)Cc1c(Cl)cc(C)cc1OC(F)(F)F
InChIInChI=1S/C11H10ClF3O3/c1-6-3-8(12)7(5-10(16)17-2)9(4-6)18-11(13,14)15/h3-4H,5H2,1-2H3
InChIKeyPDRXKSGEBWRPRI-UHFFFAOYSA-N
XLogP3.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Biphenylacetic acid, 4'-chloro-5-methoxy-
CID 53808
3'-Chloro-5'-(trifluoromethoxy)acetophenone
CID 17750741
3-Chloro-5-(difluoromethoxy)benzoic acid
CID 21904606
2-(2-Chloro-6-methoxyphenyl)acetic acid
CID 22327488
Methyl 3,3,3-trifluoro-2-methoxy-2-(4-trifluoromethylphenyl) propionate
CID 134821324
Methyl 2'-chloro-6'-methoxy-[1,1'-biphenyl]-4-carboxylate
CID 89519681
Methyl 3-chloro-5-(trifluoromethoxy)benzoate
CID 134635000
1-Chloro-3-methoxy-2-methyl-5-(trifluoromethyl)benzene
CID 20672271
2-[3-Chloro-5-(difluoromethoxy)phenyl]acetic acid
CID 21904604
3'-Chloro-5'-(difluoromethoxy)acetophenone
CID 21904605
Ethyl 3-chloro-5-trifluoromethoxyphenylacetate
CID 21904618
Methyl 3-chloro-5-(difluoromethoxy)benzoate
CID 23581259

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-chloro-4-methyl-6-(trifluoromethoxy)phenyl]acetate?
The IUPAC name of methyl 2-[2-chloro-4-methyl-6-(trifluoromethoxy)phenyl]acetate (CID 58052033) is methyl 2-[2-chloro-4-methyl-6-(trifluoromethoxy)phenyl]acetate.
What is the SMILES notation for methyl 2-[2-chloro-4-methyl-6-(trifluoromethoxy)phenyl]acetate?
The canonical SMILES for methyl 2-[2-chloro-4-methyl-6-(trifluoromethoxy)phenyl]acetate is COC(=O)Cc1c(Cl)cc(C)cc1OC(F)(F)F.
What is the InChIKey of methyl 2-[2-chloro-4-methyl-6-(trifluoromethoxy)phenyl]acetate?
The InChIKey is PDRXKSGEBWRPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3O3/c1-6-3-8(12)7(5-10(16)17-2)9(4-6)18-11(13,14)15/h3-4H,5H2,1-2H3.
What are the key properties of methyl 2-[2-chloro-4-methyl-6-(trifluoromethoxy)phenyl]acetate?
methyl 2-[2-chloro-4-methyl-6-(trifluoromethoxy)phenyl]acetate has a molecular weight of 282.65 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-chloro-4-methyl-6-(trifluoromethoxy)phenyl]acetate is sourced from PubChem (CID 58052033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).