ethyl 2-methoxy-6-(trifluoromethoxy)benzoate

C11H11F3O4 — CID 170997101

IUPACethyl 2-methoxy-6-(trifluoromethoxy)benzoate
SMILESCCOC(=O)c1c(OC)cccc1OC(F)(F)F
InChIInChI=1S/C11H11F3O4/c1-3-17-10(15)9-7(16-2)5-4-6-8(9)18-11(12,13)14/h4-6H,3H2,1-2H3
InChIKeyLZWDTUKVDJOMBX-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.77
Rot. Bonds4

About ethyl 2-methoxy-6-(trifluoromethoxy)benzoate

ethyl 2-methoxy-6-(trifluoromethoxy)benzoate (PubChem CID 170997101) has the molecular formula C11H11F3O4 and a molecular weight of 264.20 g/mol. Its IUPAC name is ethyl 2-methoxy-6-(trifluoromethoxy)benzoate.

Molecular Properties

Compound Nameethyl 2-methoxy-6-(trifluoromethoxy)benzoate
PubChem CID170997101
Molecular FormulaC11H11F3O4
Molecular Weight264.20 g/mol
Exact Mass264.06
IUPAC Nameethyl 2-methoxy-6-(trifluoromethoxy)benzoate
SMILESCCOC(=O)c1c(OC)cccc1OC(F)(F)F
InChIInChI=1S/C11H11F3O4/c1-3-17-10(15)9-7(16-2)5-4-6-8(9)18-11(12,13)14/h4-6H,3H2,1-2H3
InChIKeyLZWDTUKVDJOMBX-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

ethyl 2-(2-chloropropanoyl)-3-(trifluoromethoxy)benzoate
CID 134644964
ethyl 3-hydroxy-5-methoxy-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 134665109
ethyl 2-methoxy-6-[4-(trifluoromethyl)phenyl]benzoate
CID 134627131
ethyl 4-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134680122
ethyl 6-(chloromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134681855
ethyl 2-methoxy-5-[3-(trifluoromethoxy)phenyl]benzoate
CID 134633459
ethyl 2-iodo-3-methoxy-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 134659057
3-(2,6-dimethoxybenzoyl)oxypropyl 2,6-dimethoxybenzoate
CID 4829079
ethyl 2-[2-hydroxy-3-(trifluoromethoxy)phenyl]acetate
CID 134638969
ethyl 3-[2-methoxy-3-(trifluoromethoxy)phenyl]propanoate
CID 134632476
ethyl 4-(trifluoromethoxy)-1H-indazole-3-carboxylate
CID 133062991
ethyl 3-methoxy-2-propanoylbenzoate
CID 134642585

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-6-(trifluoromethoxy)benzoate?
The IUPAC name of ethyl 2-methoxy-6-(trifluoromethoxy)benzoate (CID 170997101) is ethyl 2-methoxy-6-(trifluoromethoxy)benzoate.
What is the SMILES notation for ethyl 2-methoxy-6-(trifluoromethoxy)benzoate?
The canonical SMILES for ethyl 2-methoxy-6-(trifluoromethoxy)benzoate is CCOC(=O)c1c(OC)cccc1OC(F)(F)F.
What is the InChIKey of ethyl 2-methoxy-6-(trifluoromethoxy)benzoate?
The InChIKey is LZWDTUKVDJOMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O4/c1-3-17-10(15)9-7(16-2)5-4-6-8(9)18-11(12,13)14/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 2-methoxy-6-(trifluoromethoxy)benzoate?
ethyl 2-methoxy-6-(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 2-methoxy-6-(trifluoromethoxy)benzoate is sourced from PubChem (CID 170997101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).