methyl 2-[2-bromo-3-chloro-4-(trifluoromethyl)phenyl]acetate

C10H7BrClF3O2 — CID 170995993

IUPACmethyl 2-[2-bromo-3-chloro-4-(trifluoromethyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(C(F)(F)F)c(Cl)c1Br
InChIInChI=1S/C10H7BrClF3O2/c1-17-7(16)4-5-2-3-6(10(13,14)15)9(12)8(5)11/h2-3H,4H2,1H3
InChIKeyCOIZLPLBDDQRRG-UHFFFAOYSA-N
MW331.52 g/mol
LogP3.84
Rot. Bonds2

About methyl 2-[2-bromo-3-chloro-4-(trifluoromethyl)phenyl]acetate

methyl 2-[2-bromo-3-chloro-4-(trifluoromethyl)phenyl]acetate (PubChem CID 170995993) has the molecular formula C10H7BrClF3O2 and a molecular weight of 331.52 g/mol. Its IUPAC name is methyl 2-[2-bromo-3-chloro-4-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-bromo-3-chloro-4-(trifluoromethyl)phenyl]acetate
PubChem CID170995993
Molecular FormulaC10H7BrClF3O2
Molecular Weight331.52 g/mol
Exact Mass329.93
IUPAC Namemethyl 2-[2-bromo-3-chloro-4-(trifluoromethyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(C(F)(F)F)c(Cl)c1Br
InChIInChI=1S/C10H7BrClF3O2/c1-17-7(16)4-5-2-3-6(10(13,14)15)9(12)8(5)11/h2-3H,4H2,1H3
InChIKeyCOIZLPLBDDQRRG-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.52
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[2-chloro-3-fluoro-4-(trifluoromethyl)phenyl]acetate
CID 171030057
methyl 2-bromo-3-chloro-4-(trifluoromethyl)benzoate
CID 170996074
methyl 2-[3-bromo-4-(trifluoromethyl)phenyl]acetate
CID 126597178
methyl 2-(3-bromo-2-chloro-4-iodophenyl)acetate
CID 171027522
methyl 2-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 133097688
methyl 2-[3-iodo-2,4-bis(trifluoromethyl)phenyl]acetate
CID 134638465
methyl 2-(3-bromo-2-chloro-4-pyridinyl)acetate
CID 130923502
methyl 2-(4-bromo-2-chloro-3-hydroxyphenyl)acetate
CID 171027468
methyl 2-(2-bromo-3-iodo-4-methylphenyl)acetate
CID 171026161
methyl 2-[3-ethyl-2,6-bis(trifluoromethyl)phenyl]acetate
CID 134614131
methyl 2-(3-bromo-2,4-difluorophenyl)acetate
CID 131171218
methyl 2-[3-(chloromethyl)-2-cyano-6-(trifluoromethyl)phenyl]acetate
CID 134635019

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-bromo-3-chloro-4-(trifluoromethyl)phenyl]acetate?
The IUPAC name of methyl 2-[2-bromo-3-chloro-4-(trifluoromethyl)phenyl]acetate (CID 170995993) is methyl 2-[2-bromo-3-chloro-4-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[2-bromo-3-chloro-4-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for methyl 2-[2-bromo-3-chloro-4-(trifluoromethyl)phenyl]acetate is COC(=O)Cc1ccc(C(F)(F)F)c(Cl)c1Br.
What is the InChIKey of methyl 2-[2-bromo-3-chloro-4-(trifluoromethyl)phenyl]acetate?
The InChIKey is COIZLPLBDDQRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClF3O2/c1-17-7(16)4-5-2-3-6(10(13,14)15)9(12)8(5)11/h2-3H,4H2,1H3.
What are the key properties of methyl 2-[2-bromo-3-chloro-4-(trifluoromethyl)phenyl]acetate?
methyl 2-[2-bromo-3-chloro-4-(trifluoromethyl)phenyl]acetate has a molecular weight of 331.52 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-bromo-3-chloro-4-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 170995993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).