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

C10H5F6NO3 — CID 680715

IUPAC2,2,2-trifluoro-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]acetamide
SMILESO=C(NC1(C(F)(F)F)Oc2ccccc2O1)C(F)(F)F
InChIInChI=1S/C10H5F6NO3/c11-8(12,13)7(18)17-10(9(14,15)16)19-5-3-1-2-4-6(5)20-10/h1-4H,(H,17,18)
InChIKeyDZNLBJDPIJEYBA-UHFFFAOYSA-N
MW301.14 g/mol
LogP2.35
Rot. Bonds1

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

2,2,2-trifluoro-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]acetamide (PubChem CID 680715) has the molecular formula C10H5F6NO3 and a molecular weight of 301.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]acetamide
PubChem CID680715
Molecular FormulaC10H5F6NO3
Molecular Weight301.14 g/mol
Exact Mass301.02
IUPAC Name2,2,2-trifluoro-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]acetamide
SMILESO=C(NC1(C(F)(F)F)Oc2ccccc2O1)C(F)(F)F
InChIInChI=1S/C10H5F6NO3/c11-8(12,13)7(18)17-10(9(14,15)16)19-5-3-1-2-4-6(5)20-10/h1-4H,(H,17,18)
InChIKeyDZNLBJDPIJEYBA-UHFFFAOYSA-N
XLogP2.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]acetamide (CID 680715) is 2,2,2-trifluoro-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]acetamide is O=C(NC1(C(F)(F)F)Oc2ccccc2O1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]acetamide?
The InChIKey is DZNLBJDPIJEYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F6NO3/c11-8(12,13)7(18)17-10(9(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-(trifluoromethyl)-1,3-benzodioxol-2-yl]acetamide?
2,2,2-trifluoro-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]acetamide has a molecular weight of 301.14 g/mol, XLogP of 2.35, 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-(trifluoromethyl)-1,3-benzodioxol-2-yl]acetamide is sourced from PubChem (CID 680715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).