2,2,2-trifluoro-N-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]acetamide

C11H10F3NO4 — CID 10731215

IUPAC2,2,2-trifluoro-N-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]acetamide
SMILESCOCc1cc2c(cc1NC(=O)C(F)(F)F)OCO2
InChIInChI=1S/C11H10F3NO4/c1-17-4-6-2-8-9(19-5-18-8)3-7(6)15-10(16)11(12,13)14/h2-3H,4-5H2,1H3,(H,15,16)
InChIKeyCHHPXUKDRRQIAM-UHFFFAOYSA-N
MW277.20 g/mol
LogP2.06
Rot. Bonds3

About 2,2,2-trifluoro-N-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]acetamide

2,2,2-trifluoro-N-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]acetamide (PubChem CID 10731215) has the molecular formula C11H10F3NO4 and a molecular weight of 277.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]acetamide
PubChem CID10731215
Molecular FormulaC11H10F3NO4
Molecular Weight277.20 g/mol
Exact Mass277.06
IUPAC Name2,2,2-trifluoro-N-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]acetamide
SMILESCOCc1cc2c(cc1NC(=O)C(F)(F)F)OCO2
InChIInChI=1S/C11H10F3NO4/c1-17-4-6-2-8-9(19-5-18-8)3-7(6)15-10(16)11(12,13)14/h2-3H,4-5H2,1H3,(H,15,16)
InChIKeyCHHPXUKDRRQIAM-UHFFFAOYSA-N
XLogP2.06
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]acetamide (CID 10731215) is 2,2,2-trifluoro-N-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]acetamide is COCc1cc2c(cc1NC(=O)C(F)(F)F)OCO2.
What is the InChIKey of 2,2,2-trifluoro-N-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]acetamide?
The InChIKey is CHHPXUKDRRQIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO4/c1-17-4-6-2-8-9(19-5-18-8)3-7(6)15-10(16)11(12,13)14/h2-3H,4-5H2,1H3,(H,15,16).
What are the key properties of 2,2,2-trifluoro-N-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]acetamide?
2,2,2-trifluoro-N-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]acetamide has a molecular weight of 277.20 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]acetamide is sourced from PubChem (CID 10731215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).