2,2,2-trifluoro-N-propan-2-ylacetamide

C5H8F3NO — CID 2305253

IUPAC2,2,2-trifluoro-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO/c1-3(2)9-4(10)5(6,7)8/h3H,1-2H3,(H,9,10)
InChIKeyPZIGCYLZIFYNLY-UHFFFAOYSA-N
MW155.12 g/mol
LogP1.07
Rot. Bonds1

About 2,2,2-trifluoro-N-propan-2-ylacetamide

2,2,2-trifluoro-N-propan-2-ylacetamide (PubChem CID 2305253) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-propan-2-ylacetamide
PubChem CID2305253
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC Name2,2,2-trifluoro-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO/c1-3(2)9-4(10)5(6,7)8/h3H,1-2H3,(H,9,10)
InChIKeyPZIGCYLZIFYNLY-UHFFFAOYSA-N
XLogP1.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 51.07
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-propan-2-ylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-propan-2-ylacetamide (CID 2305253) is 2,2,2-trifluoro-N-propan-2-ylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-propan-2-ylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-propan-2-ylacetamide is CC(C)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-propan-2-ylacetamide?
The InChIKey is PZIGCYLZIFYNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO/c1-3(2)9-4(10)5(6,7)8/h3H,1-2H3,(H,9,10).
What are the key properties of 2,2,2-trifluoro-N-propan-2-ylacetamide?
2,2,2-trifluoro-N-propan-2-ylacetamide has a molecular weight of 155.12 g/mol, XLogP of 1.07, 1 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-propan-2-ylacetamide is sourced from PubChem (CID 2305253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).