ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate

C11H10ClF3O2 — CID 146013675

IUPACethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H10ClF3O2/c1-2-17-10(16)5-7-3-4-8(6-9(7)12)11(13,14)15/h3-4,6H,2,5H2,1H3
InChIKeyFLVDAIVZIVKQRD-UHFFFAOYSA-N
MW266.65 g/mol
LogP3.46
Rot. Bonds3

About ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate

ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate (PubChem CID 146013675) has the molecular formula C11H10ClF3O2 and a molecular weight of 266.65 g/mol. Its IUPAC name is ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate
PubChem CID146013675
Molecular FormulaC11H10ClF3O2
Molecular Weight266.65 g/mol
Exact Mass266.03
IUPAC Nameethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H10ClF3O2/c1-2-17-10(16)5-7-3-4-8(6-9(7)12)11(13,14)15/h3-4,6H,2,5H2,1H3
InChIKeyFLVDAIVZIVKQRD-UHFFFAOYSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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ethyl 2-[2-chloro-5-(trifluoromethyl)phenoxy]acetate
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ethyl 4-[2-chloro-4-(trifluoromethyl)phenyl]-3,4-dihydroxybutanoate
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ethyl 2-[4-chloro-2-(trifluoromethyl)phenyl]acetate
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ethyl 2-(3-ethoxy-3-oxopropyl)-5-(trifluoromethyl)benzoate
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ethyl 2-(4-chloro-3-fluoro-2-methylphenyl)acetate
CID 171030020
ethyl 2-[5-chloro-2-(trifluoromethyl)phenyl]acetate
CID 66765121
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 3861490
ethyl 2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate
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CID 70444859

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate?
The IUPAC name of ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate (CID 146013675) is ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate is CCOC(=O)Cc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate?
The InChIKey is FLVDAIVZIVKQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3O2/c1-2-17-10(16)5-7-3-4-8(6-9(7)12)11(13,14)15/h3-4,6H,2,5H2,1H3.
What are the key properties of ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate?
ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate has a molecular weight of 266.65 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 146013675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).