2,2,2-trifluoro-N-undecylacetamide

C13H24F3NO — CID 607652

IUPAC2,2,2-trifluoro-N-undecylacetamide
SMILESCCCCCCCCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-2-3-4-5-6-7-8-9-10-11-17-12(18)13(14,15)16/h2-11H2,1H3,(H,17,18)
InChIKeyMEANEKYIJMZNMT-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.20
Rot. Bonds10

About 2,2,2-trifluoro-N-undecylacetamide

2,2,2-trifluoro-N-undecylacetamide (PubChem CID 607652) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-undecylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-undecylacetamide
PubChem CID607652
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name2,2,2-trifluoro-N-undecylacetamide
SMILESCCCCCCCCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-2-3-4-5-6-7-8-9-10-11-17-12(18)13(14,15)16/h2-11H2,1H3,(H,17,18)
InChIKeyMEANEKYIJMZNMT-UHFFFAOYSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-undecylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-undecylacetamide (CID 607652) is 2,2,2-trifluoro-N-undecylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-undecylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-undecylacetamide is CCCCCCCCCCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-undecylacetamide?
The InChIKey is MEANEKYIJMZNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-2-3-4-5-6-7-8-9-10-11-17-12(18)13(14,15)16/h2-11H2,1H3,(H,17,18).
What are the key properties of 2,2,2-trifluoro-N-undecylacetamide?
2,2,2-trifluoro-N-undecylacetamide has a molecular weight of 267.33 g/mol, XLogP of 4.20, 10 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-undecylacetamide is sourced from PubChem (CID 607652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).