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

C11H10ClF3O2 — CID 53419399

IUPACethyl 2-[4-chloro-2-(trifluoromethyl)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C11H10ClF3O2/c1-2-17-10(16)5-7-3-4-8(12)6-9(7)11(13,14)15/h3-4,6H,2,5H2,1H3
InChIKeyLZGHMCAMYJBBHU-UHFFFAOYSA-N
MW266.65 g/mol
LogP3.46
Rot. Bonds3

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

ethyl 2-[4-chloro-2-(trifluoromethyl)phenyl]acetate (PubChem CID 53419399) has the molecular formula C11H10ClF3O2 and a molecular weight of 266.65 g/mol. Its IUPAC name is ethyl 2-[4-chloro-2-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-chloro-2-(trifluoromethyl)phenyl]acetate
PubChem CID53419399
Molecular FormulaC11H10ClF3O2
Molecular Weight266.65 g/mol
Exact Mass266.03
IUPAC Nameethyl 2-[4-chloro-2-(trifluoromethyl)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C11H10ClF3O2/c1-2-17-10(16)5-7-3-4-8(12)6-9(7)11(13,14)15/h3-4,6H,2,5H2,1H3
InChIKeyLZGHMCAMYJBBHU-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

ethyl 2-[5-chloro-2-(trifluoromethyl)phenyl]acetate
CID 66765121
ethyl (3S)-3-amino-3-[4-chloro-2-(trifluoromethyl)phenyl]propanoate;hydrochloride
CID 171227139
ethyl 2-[5-fluoro-2,4-bis(trifluoromethyl)phenyl]acetate
CID 134631817
ethyl (2E)-2-[[2-[4-chloro-2-(trifluoromethyl)phenyl]acetyl]-methylhydrazinylidene]propanoate
CID 172929947
ethyl 2-[4-amino-2,5-bis(trifluoromethyl)phenyl]acetate
CID 134633207
ethyl 4-[4-chloro-2-(trifluoromethyl)anilino]-4-oxobutanoate
CID 60660652
ethyl 2-[4-chloro-2-(methoxymethyl)phenyl]acetate
CID 156502828
ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate
CID 146013675
ethyl 2-(5-chloro-2-fluoro-4-methylphenyl)acetate
CID 134614344
ethyl 2-(4-fluoronaphthalen-1-yl)acetate
CID 131631742
3-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoropropanoic acid
CID 162738006
3-bromo-4-[4-chloro-2-(trifluoromethyl)phenyl]butan-2-one
CID 55071546

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-chloro-2-(trifluoromethyl)phenyl]acetate?
The IUPAC name of ethyl 2-[4-chloro-2-(trifluoromethyl)phenyl]acetate (CID 53419399) is ethyl 2-[4-chloro-2-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-chloro-2-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for ethyl 2-[4-chloro-2-(trifluoromethyl)phenyl]acetate is CCOC(=O)Cc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of ethyl 2-[4-chloro-2-(trifluoromethyl)phenyl]acetate?
The InChIKey is LZGHMCAMYJBBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3O2/c1-2-17-10(16)5-7-3-4-8(12)6-9(7)11(13,14)15/h3-4,6H,2,5H2,1H3.
What are the key properties of ethyl 2-[4-chloro-2-(trifluoromethyl)phenyl]acetate?
ethyl 2-[4-chloro-2-(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-[4-chloro-2-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 53419399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).