methyl 4,5-dimethoxy-2-(trifluoromethyl)benzoate

C11H11F3O4 — CID 171032673

IUPACmethyl 4,5-dimethoxy-2-(trifluoromethyl)benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1C(F)(F)F
InChIInChI=1S/C11H11F3O4/c1-16-8-4-6(10(15)18-3)7(11(12,13)14)5-9(8)17-2/h4-5H,1-3H3
InChIKeyQPMQOFQTQPBGKK-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.51
Rot. Bonds3

About methyl 4,5-dimethoxy-2-(trifluoromethyl)benzoate

methyl 4,5-dimethoxy-2-(trifluoromethyl)benzoate (PubChem CID 171032673) has the molecular formula C11H11F3O4 and a molecular weight of 264.20 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-2-(trifluoromethyl)benzoate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-2-(trifluoromethyl)benzoate
PubChem CID171032673
Molecular FormulaC11H11F3O4
Molecular Weight264.20 g/mol
Exact Mass264.06
IUPAC Namemethyl 4,5-dimethoxy-2-(trifluoromethyl)benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1C(F)(F)F
InChIInChI=1S/C11H11F3O4/c1-16-8-4-6(10(15)18-3)7(11(12,13)14)5-9(8)17-2/h4-5H,1-3H3
InChIKeyQPMQOFQTQPBGKK-UHFFFAOYSA-N
XLogP2.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4,5-dimethoxy-2-(trifluoromethyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-amino-5-methoxy-2-(trifluoromethyl)benzoate
CID 67254453
methyl 4-bromo-2,5-bis(trifluoromethyl)benzoate
CID 18925692
methyl 4-fluoro-5-hydroxy-2-(trifluoromethyl)benzoate
CID 131318354
methyl 2-fluoro-4,5-dimethoxybenzoate
CID 86155175
methyl 5-iodo-4-methyl-2-(trifluoromethyl)benzoate
CID 142587775
methyl 4-cyano-5-(trifluoromethoxy)-2-(trifluoromethyl)benzoate
CID 134648198
ethyl 6,7-dimethoxy-3-(trifluoromethyl)naphthalene-2-carboxylate
CID 166521299
4,5-dimethoxy-2-methoxycarbonylbenzoic acid
CID 23423205
5-fluoro-4-methoxy-2-(trifluoromethyl)benzoic acid
CID 131330568
methyl 4-methoxy-3-(trifluoromethyl)benzoate
CID 19360538
methyl 2-methoxy-4-(trifluoromethyl)benzoate
CID 24728010
2-(2-fluoropropan-2-yl)-4,5-dimethoxybenzoic acid
CID 84703270

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-2-(trifluoromethyl)benzoate?
The IUPAC name of methyl 4,5-dimethoxy-2-(trifluoromethyl)benzoate (CID 171032673) is methyl 4,5-dimethoxy-2-(trifluoromethyl)benzoate.
What is the SMILES notation for methyl 4,5-dimethoxy-2-(trifluoromethyl)benzoate?
The canonical SMILES for methyl 4,5-dimethoxy-2-(trifluoromethyl)benzoate is COC(=O)c1cc(OC)c(OC)cc1C(F)(F)F.
What is the InChIKey of methyl 4,5-dimethoxy-2-(trifluoromethyl)benzoate?
The InChIKey is QPMQOFQTQPBGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O4/c1-16-8-4-6(10(15)18-3)7(11(12,13)14)5-9(8)17-2/h4-5H,1-3H3.
What are the key properties of methyl 4,5-dimethoxy-2-(trifluoromethyl)benzoate?
methyl 4,5-dimethoxy-2-(trifluoromethyl)benzoate has a molecular weight of 264.20 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-2-(trifluoromethyl)benzoate is sourced from PubChem (CID 171032673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).