2-(2-acetamido-5-chlorophenyl)-2,2-difluoroacetic acid

C10H8ClF2NO3 — CID 90886806

IUPAC2-(2-acetamido-5-chlorophenyl)-2,2-difluoroacetic acid
SMILESCC(=O)Nc1ccc(Cl)cc1C(F)(F)C(=O)O
InChIInChI=1S/C10H8ClF2NO3/c1-5(15)14-8-3-2-6(11)4-7(8)10(12,13)9(16)17/h2-4H,1H3,(H,14,15)(H,16,17)
InChIKeyVCPFZAJLPYAUPN-UHFFFAOYSA-N
MW263.63 g/mol
LogP2.47
Rot. Bonds3

About 2-(2-acetamido-5-chlorophenyl)-2,2-difluoroacetic acid

2-(2-acetamido-5-chlorophenyl)-2,2-difluoroacetic acid (PubChem CID 90886806) has the molecular formula C10H8ClF2NO3 and a molecular weight of 263.63 g/mol. Its IUPAC name is 2-(2-acetamido-5-chlorophenyl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(2-acetamido-5-chlorophenyl)-2,2-difluoroacetic acid
PubChem CID90886806
Molecular FormulaC10H8ClF2NO3
Molecular Weight263.63 g/mol
Exact Mass263.02
IUPAC Name2-(2-acetamido-5-chlorophenyl)-2,2-difluoroacetic acid
SMILESCC(=O)Nc1ccc(Cl)cc1C(F)(F)C(=O)O
InChIInChI=1S/C10H8ClF2NO3/c1-5(15)14-8-3-2-6(11)4-7(8)10(12,13)9(16)17/h2-4H,1H3,(H,14,15)(H,16,17)
InChIKeyVCPFZAJLPYAUPN-UHFFFAOYSA-N
XLogP2.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.63
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-5-chlorophenyl)-2,2-difluoroacetic acid?
The IUPAC name of 2-(2-acetamido-5-chlorophenyl)-2,2-difluoroacetic acid (CID 90886806) is 2-(2-acetamido-5-chlorophenyl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(2-acetamido-5-chlorophenyl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(2-acetamido-5-chlorophenyl)-2,2-difluoroacetic acid is CC(=O)Nc1ccc(Cl)cc1C(F)(F)C(=O)O.
What is the InChIKey of 2-(2-acetamido-5-chlorophenyl)-2,2-difluoroacetic acid?
The InChIKey is VCPFZAJLPYAUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF2NO3/c1-5(15)14-8-3-2-6(11)4-7(8)10(12,13)9(16)17/h2-4H,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(2-acetamido-5-chlorophenyl)-2,2-difluoroacetic acid?
2-(2-acetamido-5-chlorophenyl)-2,2-difluoroacetic acid has a molecular weight of 263.63 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-5-chlorophenyl)-2,2-difluoroacetic acid is sourced from PubChem (CID 90886806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).