ethyl 2-[3-methoxy-5-(trifluoromethyl)phenyl]acetate

C12H13F3O3 — CID 134633121

IUPACethyl 2-[3-methoxy-5-(trifluoromethyl)phenyl]acetate
SMILESCCOC(=O)Cc1cc(OC)cc(C(F)(F)F)c1
InChIInChI=1S/C12H13F3O3/c1-3-18-11(16)6-8-4-9(12(13,14)15)7-10(5-8)17-2/h4-5,7H,3,6H2,1-2H3
InChIKeyGLIDQNQZTWJPHO-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.82
Rot. Bonds4

About ethyl 2-[3-methoxy-5-(trifluoromethyl)phenyl]acetate

ethyl 2-[3-methoxy-5-(trifluoromethyl)phenyl]acetate (PubChem CID 134633121) has the molecular formula C12H13F3O3 and a molecular weight of 262.23 g/mol. Its IUPAC name is ethyl 2-[3-methoxy-5-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-methoxy-5-(trifluoromethyl)phenyl]acetate
PubChem CID134633121
Molecular FormulaC12H13F3O3
Molecular Weight262.23 g/mol
Exact Mass262.08
IUPAC Nameethyl 2-[3-methoxy-5-(trifluoromethyl)phenyl]acetate
SMILESCCOC(=O)Cc1cc(OC)cc(C(F)(F)F)c1
InChIInChI=1S/C12H13F3O3/c1-3-18-11(16)6-8-4-9(12(13,14)15)7-10(5-8)17-2/h4-5,7H,3,6H2,1-2H3
InChIKeyGLIDQNQZTWJPHO-UHFFFAOYSA-N
XLogP2.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-methoxy-5-nitrophenyl)acetate
CID 134640478
ethyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 133096845
ethyl 3-[3,5-bis(trifluoromethyl)phenyl]-2-oxopropanoate
CID 18370574
ethyl 2-[3-[2-(bromomethyl)-4-nitrophenoxy]-5-(trifluoromethyl)phenyl]acetate
CID 58372833
1-butyl-3-methoxy-5-(trifluoromethyl)benzene
CID 123460618
1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-methoxy-5-(trifluoromethyl)phenyl]ethanone
CID 160763782
1-[3-methoxy-5-(trifluoromethyl)phenyl]propan-2-amine
CID 117337696
ethyl 3-[3-methoxy-5-(trifluoromethoxy)phenyl]propanoate
CID 134632610
ethyl 2-[2-cyano-6-sulfanyl-4-(trifluoromethyl)phenyl]acetate
CID 134654176
2-(3-tert-butyl-5-methoxyphenyl)acetic acid
CID 21199158
ethyl 2-[3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]acetate
CID 24771790
ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-methoxy-5-(trifluoromethyl)phenyl]acetate?
The IUPAC name of ethyl 2-[3-methoxy-5-(trifluoromethyl)phenyl]acetate (CID 134633121) is ethyl 2-[3-methoxy-5-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-[3-methoxy-5-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for ethyl 2-[3-methoxy-5-(trifluoromethyl)phenyl]acetate is CCOC(=O)Cc1cc(OC)cc(C(F)(F)F)c1.
What is the InChIKey of ethyl 2-[3-methoxy-5-(trifluoromethyl)phenyl]acetate?
The InChIKey is GLIDQNQZTWJPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O3/c1-3-18-11(16)6-8-4-9(12(13,14)15)7-10(5-8)17-2/h4-5,7H,3,6H2,1-2H3.
What are the key properties of ethyl 2-[3-methoxy-5-(trifluoromethyl)phenyl]acetate?
ethyl 2-[3-methoxy-5-(trifluoromethyl)phenyl]acetate has a molecular weight of 262.23 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-methoxy-5-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 134633121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).