methyl 4-methoxy-3-(trifluoromethyl)benzoate

C10H9F3O3 — CID 19360538

IUPACmethyl 4-methoxy-3-(trifluoromethyl)benzoate
SMILESCOC(=O)c1ccc(OC)c(C(F)(F)F)c1
InChIInChI=1S/C10H9F3O3/c1-15-8-4-3-6(9(14)16-2)5-7(8)10(11,12)13/h3-5H,1-2H3
InChIKeyFAOOKWQMNNMWGW-UHFFFAOYSA-N
MW234.17 g/mol
LogP2.50
Rot. Bonds2

About methyl 4-methoxy-3-(trifluoromethyl)benzoate

methyl 4-methoxy-3-(trifluoromethyl)benzoate (PubChem CID 19360538) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is methyl 4-methoxy-3-(trifluoromethyl)benzoate.

Molecular Properties

Compound Namemethyl 4-methoxy-3-(trifluoromethyl)benzoate
PubChem CID19360538
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Namemethyl 4-methoxy-3-(trifluoromethyl)benzoate
SMILESCOC(=O)c1ccc(OC)c(C(F)(F)F)c1
InChIInChI=1S/C10H9F3O3/c1-15-8-4-3-6(9(14)16-2)5-7(8)10(11,12)13/h3-5H,1-2H3
InChIKeyFAOOKWQMNNMWGW-UHFFFAOYSA-N
XLogP2.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(2-methylpropoxy)-3-(trifluoromethyl)benzoate
CID 169061075
1-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one
CID 146008941
methyl 4-fluorosulfanyl-3-(trifluoromethyl)benzoate
CID 143638703
3-chloro-1-[4-methoxy-3-(trifluoromethyl)phenyl]propan-1-one
CID 134626230
1-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylbutan-1-one
CID 146008972
4-methoxy-3-(trifluoromethyl)benzenecarbothioyl chloride
CID 87540126
CID 145169423
CID 145169423
1-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylsulfanylpropan-1-one
CID 146008962
N-(N'-chlorocarbamimidoyl)-4-methoxy-3-(trifluoromethyl)benzamide
CID 67582144
methyl 3-prop-1-en-2-yl-4-(trifluoromethyl)benzoate
CID 58020795
methyl 3-tert-butyl-4-hydroperoxybenzoate
CID 143859954
methyl 6-methoxy-2-methyl-3-(trifluoromethyl)benzoate
CID 162581639

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-3-(trifluoromethyl)benzoate?
The IUPAC name of methyl 4-methoxy-3-(trifluoromethyl)benzoate (CID 19360538) is methyl 4-methoxy-3-(trifluoromethyl)benzoate.
What is the SMILES notation for methyl 4-methoxy-3-(trifluoromethyl)benzoate?
The canonical SMILES for methyl 4-methoxy-3-(trifluoromethyl)benzoate is COC(=O)c1ccc(OC)c(C(F)(F)F)c1.
What is the InChIKey of methyl 4-methoxy-3-(trifluoromethyl)benzoate?
The InChIKey is FAOOKWQMNNMWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3/c1-15-8-4-3-6(9(14)16-2)5-7(8)10(11,12)13/h3-5H,1-2H3.
What are the key properties of methyl 4-methoxy-3-(trifluoromethyl)benzoate?
methyl 4-methoxy-3-(trifluoromethyl)benzoate has a molecular weight of 234.17 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-3-(trifluoromethyl)benzoate is sourced from PubChem (CID 19360538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).