2,4,5-trifluoro-3-formamidobenzoic acid

C8H4F3NO3 — CID 168651424

IUPAC2,4,5-trifluoro-3-formamidobenzoic acid
SMILESO=CNc1c(F)c(F)cc(C(=O)O)c1F
InChIInChI=1S/C8H4F3NO3/c9-4-1-3(8(14)15)5(10)7(6(4)11)12-2-13/h1-2H,(H,12,13)(H,14,15)
InChIKeyZAIUTNFGEWPBDZ-UHFFFAOYSA-N
MW219.12 g/mol
LogP1.37
Rot. Bonds3

About 2,4,5-trifluoro-3-formamidobenzoic acid

2,4,5-trifluoro-3-formamidobenzoic acid (PubChem CID 168651424) has the molecular formula C8H4F3NO3 and a molecular weight of 219.12 g/mol. Its IUPAC name is 2,4,5-trifluoro-3-formamidobenzoic acid.

Molecular Properties

Compound Name2,4,5-trifluoro-3-formamidobenzoic acid
PubChem CID168651424
Molecular FormulaC8H4F3NO3
Molecular Weight219.12 g/mol
Exact Mass219.01
IUPAC Name2,4,5-trifluoro-3-formamidobenzoic acid
SMILESO=CNc1c(F)c(F)cc(C(=O)O)c1F
InChIInChI=1S/C8H4F3NO3/c9-4-1-3(8(14)15)5(10)7(6(4)11)12-2-13/h1-2H,(H,12,13)(H,14,15)
InChIKeyZAIUTNFGEWPBDZ-UHFFFAOYSA-N
XLogP1.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.12
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-5-hydroxybenzoic acid
CID 26596765
2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride
CID 175062708
3-bromo-2,4,5-trifluorobenzoic acid
CID 2783246
2,4,5-trifluoro-3-methylbenzoic acid
CID 11805514
3,6-difluoro-2-formamidobenzoic acid
CID 168651747
2-fluoro-5-formamido-4-hydroxybenzoic acid
CID 168651491
2,3-difluoro-5-(4-oxobutan-2-yl)benzoic acid
CID 117328293
N-(2,4,6-trifluorophenyl)formamide
CID 19027811
5-fluoro-4-formyl-2-hydroxybenzoic acid
CID 170993880
5-fluorobenzene-1,2,4-tricarboxylic acid
CID 139956779
2,4-difluoro-5-formylbenzoic acid
CID 53405251
2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid
CID 107645096

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-3-formamidobenzoic acid?
The IUPAC name of 2,4,5-trifluoro-3-formamidobenzoic acid (CID 168651424) is 2,4,5-trifluoro-3-formamidobenzoic acid.
What is the SMILES notation for 2,4,5-trifluoro-3-formamidobenzoic acid?
The canonical SMILES for 2,4,5-trifluoro-3-formamidobenzoic acid is O=CNc1c(F)c(F)cc(C(=O)O)c1F.
What is the InChIKey of 2,4,5-trifluoro-3-formamidobenzoic acid?
The InChIKey is ZAIUTNFGEWPBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3NO3/c9-4-1-3(8(14)15)5(10)7(6(4)11)12-2-13/h1-2H,(H,12,13)(H,14,15).
What are the key properties of 2,4,5-trifluoro-3-formamidobenzoic acid?
2,4,5-trifluoro-3-formamidobenzoic acid has a molecular weight of 219.12 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-3-formamidobenzoic acid is sourced from PubChem (CID 168651424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).