2,2,2-trifluoro-N-(10-hydroxydecyl)acetamide

C12H22F3NO2 — CID 53413893

IUPAC2,2,2-trifluoro-N-(10-hydroxydecyl)acetamide
SMILESO=C(NCCCCCCCCCCO)C(F)(F)F
InChIInChI=1S/C12H22F3NO2/c13-12(14,15)11(18)16-9-7-5-3-1-2-4-6-8-10-17/h17H,1-10H2,(H,16,18)
InChIKeyJVTQOWUYWRMDFS-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.78
Rot. Bonds10

About 2,2,2-trifluoro-N-(10-hydroxydecyl)acetamide

2,2,2-trifluoro-N-(10-hydroxydecyl)acetamide (PubChem CID 53413893) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(10-hydroxydecyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(10-hydroxydecyl)acetamide
PubChem CID53413893
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name2,2,2-trifluoro-N-(10-hydroxydecyl)acetamide
SMILESO=C(NCCCCCCCCCCO)C(F)(F)F
InChIInChI=1S/C12H22F3NO2/c13-12(14,15)11(18)16-9-7-5-3-1-2-4-6-8-10-17/h17H,1-10H2,(H,16,18)
InChIKeyJVTQOWUYWRMDFS-UHFFFAOYSA-N
XLogP2.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(10-hydroxydecyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(10-hydroxydecyl)acetamide (CID 53413893) is 2,2,2-trifluoro-N-(10-hydroxydecyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(10-hydroxydecyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(10-hydroxydecyl)acetamide is O=C(NCCCCCCCCCCO)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(10-hydroxydecyl)acetamide?
The InChIKey is JVTQOWUYWRMDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c13-12(14,15)11(18)16-9-7-5-3-1-2-4-6-8-10-17/h17H,1-10H2,(H,16,18).
What are the key properties of 2,2,2-trifluoro-N-(10-hydroxydecyl)acetamide?
2,2,2-trifluoro-N-(10-hydroxydecyl)acetamide has a molecular weight of 269.31 g/mol, XLogP of 2.78, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(10-hydroxydecyl)acetamide is sourced from PubChem (CID 53413893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).