2,2,2-trifluoro-N-hexyl-N-(4-hydroxybutyl)acetamide

C12H22F3NO2 — CID 44521286

IUPAC2,2,2-trifluoro-N-hexyl-N-(4-hydroxybutyl)acetamide
SMILESCCCCCCN(CCCCO)C(=O)C(F)(F)F
InChIInChI=1S/C12H22F3NO2/c1-2-3-4-5-8-16(9-6-7-10-17)11(18)12(13,14)15/h17H,2-10H2,1H3
InChIKeyUATDUMYRFSLECQ-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.73
Rot. Bonds9

About 2,2,2-trifluoro-N-hexyl-N-(4-hydroxybutyl)acetamide

2,2,2-trifluoro-N-hexyl-N-(4-hydroxybutyl)acetamide (PubChem CID 44521286) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-hexyl-N-(4-hydroxybutyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-hexyl-N-(4-hydroxybutyl)acetamide
PubChem CID44521286
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name2,2,2-trifluoro-N-hexyl-N-(4-hydroxybutyl)acetamide
SMILESCCCCCCN(CCCCO)C(=O)C(F)(F)F
InChIInChI=1S/C12H22F3NO2/c1-2-3-4-5-8-16(9-6-7-10-17)11(18)12(13,14)15/h17H,2-10H2,1H3
InChIKeyUATDUMYRFSLECQ-UHFFFAOYSA-N
XLogP2.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
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-hexyl-N-(4-hydroxybutyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-hexyl-N-(4-hydroxybutyl)acetamide (CID 44521286) is 2,2,2-trifluoro-N-hexyl-N-(4-hydroxybutyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-hexyl-N-(4-hydroxybutyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-hexyl-N-(4-hydroxybutyl)acetamide is CCCCCCN(CCCCO)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-hexyl-N-(4-hydroxybutyl)acetamide?
The InChIKey is UATDUMYRFSLECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-2-3-4-5-8-16(9-6-7-10-17)11(18)12(13,14)15/h17H,2-10H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-hexyl-N-(4-hydroxybutyl)acetamide?
2,2,2-trifluoro-N-hexyl-N-(4-hydroxybutyl)acetamide has a molecular weight of 269.31 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-hexyl-N-(4-hydroxybutyl)acetamide is sourced from PubChem (CID 44521286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).