ethyl 2-[2-chloro-5-(trifluoromethyl)phenoxy]acetate

C11H10ClF3O3 — CID 83409150

IUPACethyl 2-[2-chloro-5-(trifluoromethyl)phenoxy]acetate
SMILESCCOC(=O)COc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H10ClF3O3/c1-2-17-10(16)6-18-9-5-7(11(13,14)15)3-4-8(9)12/h3-5H,2,6H2,1H3
InChIKeySYDGQZDJEHKDHV-UHFFFAOYSA-N
MW282.65 g/mol
LogP3.30
Rot. Bonds4

About ethyl 2-[2-chloro-5-(trifluoromethyl)phenoxy]acetate

ethyl 2-[2-chloro-5-(trifluoromethyl)phenoxy]acetate (PubChem CID 83409150) has the molecular formula C11H10ClF3O3 and a molecular weight of 282.65 g/mol. Its IUPAC name is ethyl 2-[2-chloro-5-(trifluoromethyl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-chloro-5-(trifluoromethyl)phenoxy]acetate
PubChem CID83409150
Molecular FormulaC11H10ClF3O3
Molecular Weight282.65 g/mol
Exact Mass282.03
IUPAC Nameethyl 2-[2-chloro-5-(trifluoromethyl)phenoxy]acetate
SMILESCCOC(=O)COc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H10ClF3O3/c1-2-17-10(16)6-18-9-5-7(11(13,14)15)3-4-8(9)12/h3-5H,2,6H2,1H3
InChIKeySYDGQZDJEHKDHV-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-cyano-4-(trifluoromethyl)phenoxy]acetate
CID 59825201
ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate
CID 146013675
ethyl 2-[2,4-dichloro-5-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]acetate
CID 1479519
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
ethyl 4-(2,5-dichlorophenoxy)-3-oxobutanoate
CID 60644149
ethyl 2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetate
CID 91410981
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 3861490
ethane;ethyl 2-[4-bromo-2-(trifluoromethyl)phenoxy]acetate
CID 154670957
ethyl 4-[2-chloro-4-(trifluoromethyl)phenyl]-3,4-dihydroxybutanoate
CID 171898528
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetate
CID 78902028
4-chloro-5-(2-ethoxy-2-oxoethoxy)-2-fluorobenzenediazonium
CID 139822544

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-chloro-5-(trifluoromethyl)phenoxy]acetate?
The IUPAC name of ethyl 2-[2-chloro-5-(trifluoromethyl)phenoxy]acetate (CID 83409150) is ethyl 2-[2-chloro-5-(trifluoromethyl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-chloro-5-(trifluoromethyl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-chloro-5-(trifluoromethyl)phenoxy]acetate is CCOC(=O)COc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of ethyl 2-[2-chloro-5-(trifluoromethyl)phenoxy]acetate?
The InChIKey is SYDGQZDJEHKDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3O3/c1-2-17-10(16)6-18-9-5-7(11(13,14)15)3-4-8(9)12/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-[2-chloro-5-(trifluoromethyl)phenoxy]acetate?
ethyl 2-[2-chloro-5-(trifluoromethyl)phenoxy]acetate has a molecular weight of 282.65 g/mol, XLogP of 3.30, 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-5-(trifluoromethyl)phenoxy]acetate is sourced from PubChem (CID 83409150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).