2,2,2-trifluoro-N-(1-methoxybutan-2-yl)acetamide

C7H12F3NO2 — CID 64590744

IUPAC2,2,2-trifluoro-N-(1-methoxybutan-2-yl)acetamide
SMILESCCC(COC)NC(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-3-5(4-13-2)11-6(12)7(8,9)10/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyWXTHNZNCJJXVSF-UHFFFAOYSA-N
MW199.17 g/mol
LogP1.09
Rot. Bonds4

About 2,2,2-trifluoro-N-(1-methoxybutan-2-yl)acetamide

2,2,2-trifluoro-N-(1-methoxybutan-2-yl)acetamide (PubChem CID 64590744) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-methoxybutan-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-methoxybutan-2-yl)acetamide
PubChem CID64590744
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name2,2,2-trifluoro-N-(1-methoxybutan-2-yl)acetamide
SMILESCCC(COC)NC(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-3-5(4-13-2)11-6(12)7(8,9)10/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyWXTHNZNCJJXVSF-UHFFFAOYSA-N
XLogP1.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-methoxybutan-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-methoxybutan-2-yl)acetamide (CID 64590744) is 2,2,2-trifluoro-N-(1-methoxybutan-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-methoxybutan-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-methoxybutan-2-yl)acetamide is CCC(COC)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1-methoxybutan-2-yl)acetamide?
The InChIKey is WXTHNZNCJJXVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-3-5(4-13-2)11-6(12)7(8,9)10/h5H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 2,2,2-trifluoro-N-(1-methoxybutan-2-yl)acetamide?
2,2,2-trifluoro-N-(1-methoxybutan-2-yl)acetamide has a molecular weight of 199.17 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-methoxybutan-2-yl)acetamide is sourced from PubChem (CID 64590744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).