2,2,2-trifluoro-N-(2,2,4-trimethylpentan-3-yl)acetamide

C10H18F3NO — CID 164778830

IUPAC2,2,2-trifluoro-N-(2,2,4-trimethylpentan-3-yl)acetamide
SMILESCC(C)C(NC(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C10H18F3NO/c1-6(2)7(9(3,4)5)14-8(15)10(11,12)13/h6-7H,1-5H3,(H,14,15)
InChIKeyUJCGWHMMABEBSQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.74
Rot. Bonds2

About 2,2,2-trifluoro-N-(2,2,4-trimethylpentan-3-yl)acetamide

2,2,2-trifluoro-N-(2,2,4-trimethylpentan-3-yl)acetamide (PubChem CID 164778830) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2,2,4-trimethylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2,2,4-trimethylpentan-3-yl)acetamide
PubChem CID164778830
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2,2,2-trifluoro-N-(2,2,4-trimethylpentan-3-yl)acetamide
SMILESCC(C)C(NC(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C10H18F3NO/c1-6(2)7(9(3,4)5)14-8(15)10(11,12)13/h6-7H,1-5H3,(H,14,15)
InChIKeyUJCGWHMMABEBSQ-UHFFFAOYSA-N
XLogP2.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2,2,4-trimethylpentan-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2,2,4-trimethylpentan-3-yl)acetamide (CID 164778830) is 2,2,2-trifluoro-N-(2,2,4-trimethylpentan-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2,2,4-trimethylpentan-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2,2,4-trimethylpentan-3-yl)acetamide is CC(C)C(NC(=O)C(F)(F)F)C(C)(C)C.
What is the InChIKey of 2,2,2-trifluoro-N-(2,2,4-trimethylpentan-3-yl)acetamide?
The InChIKey is UJCGWHMMABEBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-6(2)7(9(3,4)5)14-8(15)10(11,12)13/h6-7H,1-5H3,(H,14,15).
What are the key properties of 2,2,2-trifluoro-N-(2,2,4-trimethylpentan-3-yl)acetamide?
2,2,2-trifluoro-N-(2,2,4-trimethylpentan-3-yl)acetamide has a molecular weight of 225.25 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2,2,4-trimethylpentan-3-yl)acetamide is sourced from PubChem (CID 164778830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).