2-methoxy-4-(trifluoromethyl)benzene-1,3-dicarboxylic acid

C10H7F3O5 — CID 54088454

IUPAC2-methoxy-4-(trifluoromethyl)benzene-1,3-dicarboxylic acid
SMILESCOc1c(C(=O)O)ccc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C10H7F3O5/c1-18-7-4(8(14)15)2-3-5(10(11,12)13)6(7)9(16)17/h2-3H,1H3,(H,14,15)(H,16,17)
InChIKeyMSDRPWJPIXTTGX-UHFFFAOYSA-N
MW264.15 g/mol
LogP2.11
Rot. Bonds3

About 2-methoxy-4-(trifluoromethyl)benzene-1,3-dicarboxylic acid

2-methoxy-4-(trifluoromethyl)benzene-1,3-dicarboxylic acid (PubChem CID 54088454) has the molecular formula C10H7F3O5 and a molecular weight of 264.15 g/mol. Its IUPAC name is 2-methoxy-4-(trifluoromethyl)benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name2-methoxy-4-(trifluoromethyl)benzene-1,3-dicarboxylic acid
PubChem CID54088454
Molecular FormulaC10H7F3O5
Molecular Weight264.15 g/mol
Exact Mass264.02
IUPAC Name2-methoxy-4-(trifluoromethyl)benzene-1,3-dicarboxylic acid
SMILESCOc1c(C(=O)O)ccc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C10H7F3O5/c1-18-7-4(8(14)15)2-3-5(10(11,12)13)6(7)9(16)17/h2-3H,1H3,(H,14,15)(H,16,17)
InChIKeyMSDRPWJPIXTTGX-UHFFFAOYSA-N
XLogP2.11
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-methyl-6-(trifluoromethyl)benzene-1,3-dicarboxylic acid
CID 82667545
3-(N-cyano-S-methylsulfonimidoyl)-2-methoxy-4-(trifluoromethyl)benzoic acid
CID 129411858
2-[2-hydroxy-3-methoxy-4-(trifluoromethyl)phenyl]-2-oxoacetic acid
CID 117414453
3-methoxy-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 118704420
2-hydroxy-3-methoxyterephthalic acid
CID 150906363
4-(4-methoxyphenyl)-2-(trifluoromethyl)benzoic acid
CID 107333222
2-chloro-3-methoxyterephthalic acid
CID 126601706
2-amino-3-methoxyterephthalic acid
CID 132516468
2,6-dimethyl-3-(trifluoromethyl)benzoic acid;ethane
CID 170757552
bis[3-(bromomethyl)-2-methoxy-6-(trifluoromethyl)phenyl]methanone
CID 139698520
1-[3-ethyl-2-methoxy-4-(trifluoromethyl)phenyl]ethanone
CID 171033840
1-[2-methoxy-3-methyl-4-(trifluoromethyl)phenyl]propan-1-one
CID 159661681

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(trifluoromethyl)benzene-1,3-dicarboxylic acid?
The IUPAC name of 2-methoxy-4-(trifluoromethyl)benzene-1,3-dicarboxylic acid (CID 54088454) is 2-methoxy-4-(trifluoromethyl)benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 2-methoxy-4-(trifluoromethyl)benzene-1,3-dicarboxylic acid?
The canonical SMILES for 2-methoxy-4-(trifluoromethyl)benzene-1,3-dicarboxylic acid is COc1c(C(=O)O)ccc(C(F)(F)F)c1C(=O)O.
What is the InChIKey of 2-methoxy-4-(trifluoromethyl)benzene-1,3-dicarboxylic acid?
The InChIKey is MSDRPWJPIXTTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3O5/c1-18-7-4(8(14)15)2-3-5(10(11,12)13)6(7)9(16)17/h2-3H,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-methoxy-4-(trifluoromethyl)benzene-1,3-dicarboxylic acid?
2-methoxy-4-(trifluoromethyl)benzene-1,3-dicarboxylic acid has a molecular weight of 264.15 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(trifluoromethyl)benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 54088454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).