ethyl 3-methoxy-5-(trifluoromethoxy)benzoate

C11H11F3O4 — CID 164894988

IUPACethyl 3-methoxy-5-(trifluoromethoxy)benzoate
SMILESCCOC(=O)c1cc(OC)cc(OC(F)(F)F)c1
InChIInChI=1S/C11H11F3O4/c1-3-17-10(15)7-4-8(16-2)6-9(5-7)18-11(12,13)14/h4-6H,3H2,1-2H3
InChIKeyCXQHNLQWOWNQAF-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.77
Rot. Bonds4

About ethyl 3-methoxy-5-(trifluoromethoxy)benzoate

ethyl 3-methoxy-5-(trifluoromethoxy)benzoate (PubChem CID 164894988) has the molecular formula C11H11F3O4 and a molecular weight of 264.20 g/mol. Its IUPAC name is ethyl 3-methoxy-5-(trifluoromethoxy)benzoate.

Molecular Properties

Compound Nameethyl 3-methoxy-5-(trifluoromethoxy)benzoate
PubChem CID164894988
Molecular FormulaC11H11F3O4
Molecular Weight264.20 g/mol
Exact Mass264.06
IUPAC Nameethyl 3-methoxy-5-(trifluoromethoxy)benzoate
SMILESCCOC(=O)c1cc(OC)cc(OC(F)(F)F)c1
InChIInChI=1S/C11H11F3O4/c1-3-17-10(15)7-4-8(16-2)6-9(5-7)18-11(12,13)14/h4-6H,3H2,1-2H3
InChIKeyCXQHNLQWOWNQAF-UHFFFAOYSA-N
XLogP2.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxycarbonyl-5-methoxybenzoic acid
CID 15472357
[3-ethoxycarbonyl-5-(trifluoromethoxy)phenyl]boronic acid
CID 164894989
ethyl 3-formyl-5-(trifluoromethoxy)benzoate
CID 164892904
ethyl 3-(3-bromopropanoyl)-5-(trifluoromethoxy)benzoate
CID 134644307
ethyl 3,5-difluoro-4-(trifluoromethoxy)benzoate
CID 171065916
ethyl 3-[3-methoxy-5-(trifluoromethoxy)phenyl]propanoate
CID 134632610
1-[3-ethoxy-5-(trifluoromethoxy)phenyl]ethanone
CID 164895664
ethyl 2-(3-cyano-5-methoxyphenoxy)-2,2-difluoroacetate
CID 103566244
ethyl 3-cyano-2-methyl-5-(trifluoromethoxy)benzoate
CID 134633011
ethyl 4-cyano-3-hydroxy-5-(trifluoromethoxy)benzoate
CID 134645461
dipropyl 5-methoxybenzene-1,3-dicarboxylate
CID 20702798
ethyl 3-cyano-5-methoxy-2-(trifluoromethyl)benzoate
CID 134642165

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methoxy-5-(trifluoromethoxy)benzoate?
The IUPAC name of ethyl 3-methoxy-5-(trifluoromethoxy)benzoate (CID 164894988) is ethyl 3-methoxy-5-(trifluoromethoxy)benzoate.
What is the SMILES notation for ethyl 3-methoxy-5-(trifluoromethoxy)benzoate?
The canonical SMILES for ethyl 3-methoxy-5-(trifluoromethoxy)benzoate is CCOC(=O)c1cc(OC)cc(OC(F)(F)F)c1.
What is the InChIKey of ethyl 3-methoxy-5-(trifluoromethoxy)benzoate?
The InChIKey is CXQHNLQWOWNQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O4/c1-3-17-10(15)7-4-8(16-2)6-9(5-7)18-11(12,13)14/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 3-methoxy-5-(trifluoromethoxy)benzoate?
ethyl 3-methoxy-5-(trifluoromethoxy)benzoate has a molecular weight of 264.20 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methoxy-5-(trifluoromethoxy)benzoate is sourced from PubChem (CID 164894988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).