ethyl 2-[2-chloro-6-(trifluoromethoxy)phenyl]acetate

C11H10ClF3O3 — CID 134632056

IUPACethyl 2-[2-chloro-6-(trifluoromethoxy)phenyl]acetate
SMILESCCOC(=O)Cc1c(Cl)cccc1OC(F)(F)F
InChIInChI=1S/C11H10ClF3O3/c1-2-17-10(16)6-7-8(12)4-3-5-9(7)18-11(13,14)15/h3-5H,2,6H2,1H3
InChIKeyYJEJFGJTUXBPCJ-UHFFFAOYSA-N
MW282.65 g/mol
LogP3.34
Rot. Bonds4

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

ethyl 2-[2-chloro-6-(trifluoromethoxy)phenyl]acetate (PubChem CID 134632056) has the molecular formula C11H10ClF3O3 and a molecular weight of 282.65 g/mol. Its IUPAC name is ethyl 2-[2-chloro-6-(trifluoromethoxy)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-chloro-6-(trifluoromethoxy)phenyl]acetate
PubChem CID134632056
Molecular FormulaC11H10ClF3O3
Molecular Weight282.65 g/mol
Exact Mass282.03
IUPAC Nameethyl 2-[2-chloro-6-(trifluoromethoxy)phenyl]acetate
SMILESCCOC(=O)Cc1c(Cl)cccc1OC(F)(F)F
InChIInChI=1S/C11H10ClF3O3/c1-2-17-10(16)6-7-8(12)4-3-5-9(7)18-11(13,14)15/h3-5H,2,6H2,1H3
InChIKeyYJEJFGJTUXBPCJ-UHFFFAOYSA-N
XLogP3.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-formyl-6-(trifluoromethoxy)phenyl]acetate
CID 170998210
ethyl (3R)-3-amino-3-[2-chloro-6-(trifluoromethoxy)phenyl]propanoate
CID 140815184
ethyl 2-[2-hydroxy-3-(trifluoromethoxy)phenyl]acetate
CID 134638969
ethyl 2-[2-chloro-3-cyano-6-(trifluoromethoxy)phenyl]acetate
CID 134653312
ethyl 2-[3-chloro-4-(trifluoromethoxy)phenyl]acetate
CID 134632922
ethyl 2-[2-formyl-3-(trifluoromethoxy)phenyl]acetate
CID 170998207
ethyl 2-[2-(aminomethyl)-3-cyano-6-(trifluoromethoxy)phenyl]acetate
CID 134652353
ethyl 2-[5-amino-2-(trifluoromethoxy)phenyl]acetate
CID 134633504
ethyl 3-[2-methoxy-3-(trifluoromethoxy)phenyl]propanoate
CID 134632476
ethyl 2-[3-sulfanyl-2-(trifluoromethoxy)phenyl]acetate
CID 170999403
ethyl 3-(2-chloro-6-methoxyphenyl)propanoate
CID 134632461
methyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 170997137

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-chloro-6-(trifluoromethoxy)phenyl]acetate?
The IUPAC name of ethyl 2-[2-chloro-6-(trifluoromethoxy)phenyl]acetate (CID 134632056) is ethyl 2-[2-chloro-6-(trifluoromethoxy)phenyl]acetate.
What is the SMILES notation for ethyl 2-[2-chloro-6-(trifluoromethoxy)phenyl]acetate?
The canonical SMILES for ethyl 2-[2-chloro-6-(trifluoromethoxy)phenyl]acetate is CCOC(=O)Cc1c(Cl)cccc1OC(F)(F)F.
What is the InChIKey of ethyl 2-[2-chloro-6-(trifluoromethoxy)phenyl]acetate?
The InChIKey is YJEJFGJTUXBPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3O3/c1-2-17-10(16)6-7-8(12)4-3-5-9(7)18-11(13,14)15/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-[2-chloro-6-(trifluoromethoxy)phenyl]acetate?
ethyl 2-[2-chloro-6-(trifluoromethoxy)phenyl]acetate has a molecular weight of 282.65 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-chloro-6-(trifluoromethoxy)phenyl]acetate is sourced from PubChem (CID 134632056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).