2,2,2-trifluoro-N-methyl-N-(3-methylbutyl)acetamide

C8H14F3NO — CID 62728772

IUPAC2,2,2-trifluoro-N-methyl-N-(3-methylbutyl)acetamide
SMILESCC(C)CCN(C)C(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-6(2)4-5-12(3)7(13)8(9,10)11/h6H,4-5H2,1-3H3
InChIKeyHVYINMVGYHYYNE-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.05
Rot. Bonds3

About 2,2,2-trifluoro-N-methyl-N-(3-methylbutyl)acetamide

2,2,2-trifluoro-N-methyl-N-(3-methylbutyl)acetamide (PubChem CID 62728772) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(3-methylbutyl)acetamide
PubChem CID62728772
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name2,2,2-trifluoro-N-methyl-N-(3-methylbutyl)acetamide
SMILESCC(C)CCN(C)C(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-6(2)4-5-12(3)7(13)8(9,10)11/h6H,4-5H2,1-3H3
InChIKeyHVYINMVGYHYYNE-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(3-methylbutyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(3-methylbutyl)acetamide (CID 62728772) is 2,2,2-trifluoro-N-methyl-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(3-methylbutyl)acetamide is CC(C)CCN(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(3-methylbutyl)acetamide?
The InChIKey is HVYINMVGYHYYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-6(2)4-5-12(3)7(13)8(9,10)11/h6H,4-5H2,1-3H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(3-methylbutyl)acetamide?
2,2,2-trifluoro-N-methyl-N-(3-methylbutyl)acetamide has a molecular weight of 197.20 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 62728772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).