2-[(2,2-difluoroacetyl)-methylamino]benzoic acid

C10H9F2NO3 — CID 103513102

IUPAC2-[(2,2-difluoroacetyl)-methylamino]benzoic acid
SMILESCN(C(=O)C(F)F)c1ccccc1C(=O)O
InChIInChI=1S/C10H9F2NO3/c1-13(9(14)8(11)12)7-5-3-2-4-6(7)10(15)16/h2-5,8H,1H3,(H,15,16)
InChIKeyIOZIVLXZLPQPGM-UHFFFAOYSA-N
MW229.18 g/mol
LogP1.61
Rot. Bonds3

About 2-[(2,2-difluoroacetyl)-methylamino]benzoic acid

2-[(2,2-difluoroacetyl)-methylamino]benzoic acid (PubChem CID 103513102) has the molecular formula C10H9F2NO3 and a molecular weight of 229.18 g/mol. Its IUPAC name is 2-[(2,2-difluoroacetyl)-methylamino]benzoic acid.

Molecular Properties

Compound Name2-[(2,2-difluoroacetyl)-methylamino]benzoic acid
PubChem CID103513102
Molecular FormulaC10H9F2NO3
Molecular Weight229.18 g/mol
Exact Mass229.06
IUPAC Name2-[(2,2-difluoroacetyl)-methylamino]benzoic acid
SMILESCN(C(=O)C(F)F)c1ccccc1C(=O)O
InChIInChI=1S/C10H9F2NO3/c1-13(9(14)8(11)12)7-5-3-2-4-6(7)10(15)16/h2-5,8H,1H3,(H,15,16)
InChIKeyIOZIVLXZLPQPGM-UHFFFAOYSA-N
XLogP1.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoroacetyl)-methylamino]benzoic acid?
The IUPAC name of 2-[(2,2-difluoroacetyl)-methylamino]benzoic acid (CID 103513102) is 2-[(2,2-difluoroacetyl)-methylamino]benzoic acid.
What is the SMILES notation for 2-[(2,2-difluoroacetyl)-methylamino]benzoic acid?
The canonical SMILES for 2-[(2,2-difluoroacetyl)-methylamino]benzoic acid is CN(C(=O)C(F)F)c1ccccc1C(=O)O.
What is the InChIKey of 2-[(2,2-difluoroacetyl)-methylamino]benzoic acid?
The InChIKey is IOZIVLXZLPQPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO3/c1-13(9(14)8(11)12)7-5-3-2-4-6(7)10(15)16/h2-5,8H,1H3,(H,15,16).
What are the key properties of 2-[(2,2-difluoroacetyl)-methylamino]benzoic acid?
2-[(2,2-difluoroacetyl)-methylamino]benzoic acid has a molecular weight of 229.18 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoroacetyl)-methylamino]benzoic acid is sourced from PubChem (CID 103513102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).