2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]acetamide

C10H5Cl3F3NO3 — CID 2303953

IUPAC2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]acetamide
SMILESO=C(NC1(C(Cl)(Cl)Cl)Oc2ccccc2O1)C(F)(F)F
InChIInChI=1S/C10H5Cl3F3NO3/c11-9(12,13)10(17-7(18)8(14,15)16)19-5-3-1-2-4-6(5)20-10/h1-4H,(H,17,18)
InChIKeyOOMITVWXRPGCSV-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.16
Rot. Bonds1

About 2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]acetamide

2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]acetamide (PubChem CID 2303953) has the molecular formula C10H5Cl3F3NO3 and a molecular weight of 350.51 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]acetamide
PubChem CID2303953
Molecular FormulaC10H5Cl3F3NO3
Molecular Weight350.51 g/mol
Exact Mass348.93
IUPAC Name2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]acetamide
SMILESO=C(NC1(C(Cl)(Cl)Cl)Oc2ccccc2O1)C(F)(F)F
InChIInChI=1S/C10H5Cl3F3NO3/c11-9(12,13)10(17-7(18)8(14,15)16)19-5-3-1-2-4-6(5)20-10/h1-4H,(H,17,18)
InChIKeyOOMITVWXRPGCSV-UHFFFAOYSA-N
XLogP3.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]acetamide (CID 2303953) is 2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]acetamide is O=C(NC1(C(Cl)(Cl)Cl)Oc2ccccc2O1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]acetamide?
The InChIKey is OOMITVWXRPGCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl3F3NO3/c11-9(12,13)10(17-7(18)8(14,15)16)19-5-3-1-2-4-6(5)20-10/h1-4H,(H,17,18).
What are the key properties of 2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]acetamide?
2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]acetamide has a molecular weight of 350.51 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]acetamide is sourced from PubChem (CID 2303953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).