2-methoxy-4-(trifluoromethyl)benzoic acid

C9H7F3O3 — CID 3690873

IUPAC2-methoxy-4-(trifluoromethyl)benzoic acid
SMILESCOc1cc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C9H7F3O3/c1-15-7-4-5(9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H,13,14)
InChIKeyQWRIRBUKLBWVNF-UHFFFAOYSA-N
MW220.15 g/mol
LogP2.41
Rot. Bonds2

About 2-methoxy-4-(trifluoromethyl)benzoic acid

2-methoxy-4-(trifluoromethyl)benzoic acid (PubChem CID 3690873) has the molecular formula C9H7F3O3 and a molecular weight of 220.15 g/mol. Its IUPAC name is 2-methoxy-4-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-methoxy-4-(trifluoromethyl)benzoic acid
PubChem CID3690873
Molecular FormulaC9H7F3O3
Molecular Weight220.15 g/mol
Exact Mass220.03
IUPAC Name2-methoxy-4-(trifluoromethyl)benzoic acid
SMILESCOc1cc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C9H7F3O3/c1-15-7-4-5(9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H,13,14)
InChIKeyQWRIRBUKLBWVNF-UHFFFAOYSA-N
XLogP2.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-methoxy-4-(trifluoromethyl)benzoic acid (CID 3690873) is 2-methoxy-4-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-methoxy-4-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-methoxy-4-(trifluoromethyl)benzoic acid is COc1cc(C(F)(F)F)ccc1C(=O)O.
What is the InChIKey of 2-methoxy-4-(trifluoromethyl)benzoic acid?
The InChIKey is QWRIRBUKLBWVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O3/c1-15-7-4-5(9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H,13,14).
What are the key properties of 2-methoxy-4-(trifluoromethyl)benzoic acid?
2-methoxy-4-(trifluoromethyl)benzoic acid has a molecular weight of 220.15 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 3690873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).