5-fluoro-4-methoxy-2-(trifluoromethyl)benzoic acid

C9H6F4O3 — CID 131330568

IUPAC5-fluoro-4-methoxy-2-(trifluoromethyl)benzoic acid
SMILESCOc1cc(C(F)(F)F)c(C(=O)O)cc1F
InChIInChI=1S/C9H6F4O3/c1-16-7-3-5(9(11,12)13)4(8(14)15)2-6(7)10/h2-3H,1H3,(H,14,15)
InChIKeyFQJXEBOIMJLJIY-UHFFFAOYSA-N
MW238.14 g/mol
LogP2.55
Rot. Bonds2

About 5-fluoro-4-methoxy-2-(trifluoromethyl)benzoic acid

5-fluoro-4-methoxy-2-(trifluoromethyl)benzoic acid (PubChem CID 131330568) has the molecular formula C9H6F4O3 and a molecular weight of 238.14 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-2-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name5-fluoro-4-methoxy-2-(trifluoromethyl)benzoic acid
PubChem CID131330568
Molecular FormulaC9H6F4O3
Molecular Weight238.14 g/mol
Exact Mass238.03
IUPAC Name5-fluoro-4-methoxy-2-(trifluoromethyl)benzoic acid
SMILESCOc1cc(C(F)(F)F)c(C(=O)O)cc1F
InChIInChI=1S/C9H6F4O3/c1-16-7-3-5(9(11,12)13)4(8(14)15)2-6(7)10/h2-3H,1H3,(H,14,15)
InChIKeyFQJXEBOIMJLJIY-UHFFFAOYSA-N
XLogP2.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.14
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-5-fluoro-2-(trifluoromethyl)benzoic acid
CID 171002908
5-fluoro-4-methoxy-2-methylbenzoic acid
CID 84769291
2,4-difluoro-5-methoxybenzoic acid
CID 117280967
2-(2-fluoropropan-2-yl)-4,5-dimethoxybenzoic acid
CID 84703270
5-fluoro-4-methoxy-2-(trifluoromethyl)benzaldehyde
CID 131331528
methyl 4,5-dimethoxy-2-(trifluoromethyl)benzoate
CID 171032673
5-fluoro-4-formyl-2-(trifluoromethyl)benzoic acid
CID 164892479
1-[4-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 171031809
5-fluoro-2,4-dimethoxybenzoic acid;5-fluoro-2,4-dimethoxybenzonitrile
CID 159510028
2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylic acid
CID 105476930
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propanoic acid
CID 117445688
2-methoxy-4-(trifluoromethyl)benzoic acid
CID 3690873

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-2-(trifluoromethyl)benzoic acid?
The IUPAC name of 5-fluoro-4-methoxy-2-(trifluoromethyl)benzoic acid (CID 131330568) is 5-fluoro-4-methoxy-2-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 5-fluoro-4-methoxy-2-(trifluoromethyl)benzoic acid?
The canonical SMILES for 5-fluoro-4-methoxy-2-(trifluoromethyl)benzoic acid is COc1cc(C(F)(F)F)c(C(=O)O)cc1F.
What is the InChIKey of 5-fluoro-4-methoxy-2-(trifluoromethyl)benzoic acid?
The InChIKey is FQJXEBOIMJLJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4O3/c1-16-7-3-5(9(11,12)13)4(8(14)15)2-6(7)10/h2-3H,1H3,(H,14,15).
What are the key properties of 5-fluoro-4-methoxy-2-(trifluoromethyl)benzoic acid?
5-fluoro-4-methoxy-2-(trifluoromethyl)benzoic acid has a molecular weight of 238.14 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-2-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 131330568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).