2-[[(2R)-2,3,3,3-tetrafluoro-2-methoxypropanoyl]amino]benzoic acid

C11H9F4NO4 — CID 7111804

IUPAC2-[[(2R)-2,3,3,3-tetrafluoro-2-methoxypropanoyl]amino]benzoic acid
SMILESCO[C@@](F)(C(=O)Nc1ccccc1C(=O)O)C(F)(F)F
InChIInChI=1S/C11H9F4NO4/c1-20-10(12,11(13,14)15)9(19)16-7-5-3-2-4-6(7)8(17)18/h2-5H,1H3,(H,16,19)(H,17,18)/t10-/m0/s1
InChIKeyLTORXYJKJWPURZ-JTQLQIEISA-N
MW295.19 g/mol
LogP2.20
Rot. Bonds4

About 2-[[(2R)-2,3,3,3-tetrafluoro-2-methoxypropanoyl]amino]benzoic acid

2-[[(2R)-2,3,3,3-tetrafluoro-2-methoxypropanoyl]amino]benzoic acid (PubChem CID 7111804) has the molecular formula C11H9F4NO4 and a molecular weight of 295.19 g/mol. Its IUPAC name is 2-[[(2R)-2,3,3,3-tetrafluoro-2-methoxypropanoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[(2R)-2,3,3,3-tetrafluoro-2-methoxypropanoyl]amino]benzoic acid
PubChem CID7111804
Molecular FormulaC11H9F4NO4
Molecular Weight295.19 g/mol
Exact Mass295.05
IUPAC Name2-[[(2R)-2,3,3,3-tetrafluoro-2-methoxypropanoyl]amino]benzoic acid
SMILESCO[C@@](F)(C(=O)Nc1ccccc1C(=O)O)C(F)(F)F
InChIInChI=1S/C11H9F4NO4/c1-20-10(12,11(13,14)15)9(19)16-7-5-3-2-4-6(7)8(17)18/h2-5H,1H3,(H,16,19)(H,17,18)/t10-/m0/s1
InChIKeyLTORXYJKJWPURZ-JTQLQIEISA-N
XLogP2.20
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2,3,3,3-tetrafluoro-2-methoxy-1-phenylpropan-1-one
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methyl 2-(2,2-dimethylpropanoylamino)benzoate
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2-[(2-amino-2-methylpentanoyl)amino]benzoic acid
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2-[(4-methoxybenzoyl)amino]benzoic acid
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ethane;2-(2-methoxycarbonylanilino)benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2,3,3,3-tetrafluoro-2-methoxypropanoyl]amino]benzoic acid?
The IUPAC name of 2-[[(2R)-2,3,3,3-tetrafluoro-2-methoxypropanoyl]amino]benzoic acid (CID 7111804) is 2-[[(2R)-2,3,3,3-tetrafluoro-2-methoxypropanoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[(2R)-2,3,3,3-tetrafluoro-2-methoxypropanoyl]amino]benzoic acid?
The canonical SMILES for 2-[[(2R)-2,3,3,3-tetrafluoro-2-methoxypropanoyl]amino]benzoic acid is CO[C@@](F)(C(=O)Nc1ccccc1C(=O)O)C(F)(F)F.
What is the InChIKey of 2-[[(2R)-2,3,3,3-tetrafluoro-2-methoxypropanoyl]amino]benzoic acid?
The InChIKey is LTORXYJKJWPURZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H9F4NO4/c1-20-10(12,11(13,14)15)9(19)16-7-5-3-2-4-6(7)8(17)18/h2-5H,1H3,(H,16,19)(H,17,18)/t10-/m0/s1.
What are the key properties of 2-[[(2R)-2,3,3,3-tetrafluoro-2-methoxypropanoyl]amino]benzoic acid?
2-[[(2R)-2,3,3,3-tetrafluoro-2-methoxypropanoyl]amino]benzoic acid has a molecular weight of 295.19 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2,3,3,3-tetrafluoro-2-methoxypropanoyl]amino]benzoic acid is sourced from PubChem (CID 7111804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).