2,2,2-trifluoro-N-propylacetamide

C5H8F3NO — CID 580996

IUPAC2,2,2-trifluoro-N-propylacetamide
SMILESCCCNC(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO/c1-2-3-9-4(10)5(6,7)8/h2-3H2,1H3,(H,9,10)
InChIKeyNNKKAZXOECERSV-UHFFFAOYSA-N
MW155.12 g/mol
LogP1.07
Rot. Bonds2

About 2,2,2-trifluoro-N-propylacetamide

2,2,2-trifluoro-N-propylacetamide (PubChem CID 580996) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-propylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-propylacetamide
PubChem CID580996
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC Name2,2,2-trifluoro-N-propylacetamide
SMILESCCCNC(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO/c1-2-3-9-4(10)5(6,7)8/h2-3H2,1H3,(H,9,10)
InChIKeyNNKKAZXOECERSV-UHFFFAOYSA-N
XLogP1.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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-propylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-propylacetamide (CID 580996) is 2,2,2-trifluoro-N-propylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-propylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-propylacetamide is CCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-propylacetamide?
The InChIKey is NNKKAZXOECERSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO/c1-2-3-9-4(10)5(6,7)8/h2-3H2,1H3,(H,9,10).
What are the key properties of 2,2,2-trifluoro-N-propylacetamide?
2,2,2-trifluoro-N-propylacetamide has a molecular weight of 155.12 g/mol, XLogP of 1.07, 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-propylacetamide is sourced from PubChem (CID 580996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).