5-fluoro-2-(3,3,3-trifluoropropanoylamino)benzoic acid

C10H7F4NO3 — CID 24711242

IUPAC5-fluoro-2-(3,3,3-trifluoropropanoylamino)benzoic acid
SMILESO=C(CC(F)(F)F)Nc1ccc(F)cc1C(=O)O
InChIInChI=1S/C10H7F4NO3/c11-5-1-2-7(6(3-5)9(17)18)15-8(16)4-10(12,13)14/h1-3H,4H2,(H,15,16)(H,17,18)
InChIKeyCICAUDFDZZKZCG-UHFFFAOYSA-N
MW265.16 g/mol
LogP2.41
Rot. Bonds3

About 5-fluoro-2-(3,3,3-trifluoropropanoylamino)benzoic acid

5-fluoro-2-(3,3,3-trifluoropropanoylamino)benzoic acid (PubChem CID 24711242) has the molecular formula C10H7F4NO3 and a molecular weight of 265.16 g/mol. Its IUPAC name is 5-fluoro-2-(3,3,3-trifluoropropanoylamino)benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-(3,3,3-trifluoropropanoylamino)benzoic acid
PubChem CID24711242
Molecular FormulaC10H7F4NO3
Molecular Weight265.16 g/mol
Exact Mass265.04
IUPAC Name5-fluoro-2-(3,3,3-trifluoropropanoylamino)benzoic acid
SMILESO=C(CC(F)(F)F)Nc1ccc(F)cc1C(=O)O
InChIInChI=1S/C10H7F4NO3/c11-5-1-2-7(6(3-5)9(17)18)15-8(16)4-10(12,13)14/h1-3H,4H2,(H,15,16)(H,17,18)
InChIKeyCICAUDFDZZKZCG-UHFFFAOYSA-N
XLogP2.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.16
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3,3,3-trifluoropropanoylamino)benzoic acid?
The IUPAC name of 5-fluoro-2-(3,3,3-trifluoropropanoylamino)benzoic acid (CID 24711242) is 5-fluoro-2-(3,3,3-trifluoropropanoylamino)benzoic acid.
What is the SMILES notation for 5-fluoro-2-(3,3,3-trifluoropropanoylamino)benzoic acid?
The canonical SMILES for 5-fluoro-2-(3,3,3-trifluoropropanoylamino)benzoic acid is O=C(CC(F)(F)F)Nc1ccc(F)cc1C(=O)O.
What is the InChIKey of 5-fluoro-2-(3,3,3-trifluoropropanoylamino)benzoic acid?
The InChIKey is CICAUDFDZZKZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F4NO3/c11-5-1-2-7(6(3-5)9(17)18)15-8(16)4-10(12,13)14/h1-3H,4H2,(H,15,16)(H,17,18).
What are the key properties of 5-fluoro-2-(3,3,3-trifluoropropanoylamino)benzoic acid?
5-fluoro-2-(3,3,3-trifluoropropanoylamino)benzoic acid has a molecular weight of 265.16 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3,3,3-trifluoropropanoylamino)benzoic acid is sourced from PubChem (CID 24711242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).