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

C10H18F3NO — CID 60707436

IUPAC2,2,2-trifluoro-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-8(2,3)6-9(4,5)14-7(15)10(11,12)13/h6H2,1-5H3,(H,14,15)
InChIKeyAQFDFRVFCBZECV-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.88
Rot. Bonds2

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

2,2,2-trifluoro-N-(2,4,4-trimethylpentan-2-yl)acetamide (PubChem CID 60707436) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2,4,4-trimethylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2,4,4-trimethylpentan-2-yl)acetamide
PubChem CID60707436
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2,2,2-trifluoro-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-8(2,3)6-9(4,5)14-7(15)10(11,12)13/h6H2,1-5H3,(H,14,15)
InChIKeyAQFDFRVFCBZECV-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
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-(2,4,4-trimethylpentan-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2,4,4-trimethylpentan-2-yl)acetamide (CID 60707436) is 2,2,2-trifluoro-N-(2,4,4-trimethylpentan-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2,4,4-trimethylpentan-2-yl)acetamide is CC(C)(C)CC(C)(C)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The InChIKey is AQFDFRVFCBZECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-8(2,3)6-9(4,5)14-7(15)10(11,12)13/h6H2,1-5H3,(H,14,15).
What are the key properties of 2,2,2-trifluoro-N-(2,4,4-trimethylpentan-2-yl)acetamide?
2,2,2-trifluoro-N-(2,4,4-trimethylpentan-2-yl)acetamide has a molecular weight of 225.25 g/mol, XLogP of 2.88, 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-(2,4,4-trimethylpentan-2-yl)acetamide is sourced from PubChem (CID 60707436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).