2,2,2-trifluoro-N-hexylacetamide

C8H14F3NO — CID 539424

IUPAC2,2,2-trifluoro-N-hexylacetamide
SMILESCCCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-2-3-4-5-6-12-7(13)8(9,10)11/h2-6H2,1H3,(H,12,13)
InChIKeyABSXCPJNJUCDEI-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.25
Rot. Bonds5

About 2,2,2-trifluoro-N-hexylacetamide

2,2,2-trifluoro-N-hexylacetamide (PubChem CID 539424) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-hexylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-hexylacetamide
PubChem CID539424
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name2,2,2-trifluoro-N-hexylacetamide
SMILESCCCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-2-3-4-5-6-12-7(13)8(9,10)11/h2-6H2,1H3,(H,12,13)
InChIKeyABSXCPJNJUCDEI-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-hexylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Hexylacetamide
CID 24129
N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecyl)-2-iodoacetamide
CID 11181288
N-(4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononyl)iodoacetamide
CID 11387213
Acetamide, N-pentyl-
CID 221432
N-Butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 4196056
N-Acetyl-1,6-diaminohexane
CID 162081
N-Butyltrifluoroacetamide
CID 283366
N-Cyclohexyl-2,2,2-trifluoroacetamide
CID 557702
n-Dodecyl-2,2,2-trifluoroacetamide
CID 611266
2,2,3,3,4,4,4-Heptafluoro-N-hexylbutanamide
CID 540603
2,2,3,3,4,4,4-Heptafluoro-n-undecylbutanamide
CID 607665
n-Butyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 614617

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-hexylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-hexylacetamide (CID 539424) is 2,2,2-trifluoro-N-hexylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-hexylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-hexylacetamide is CCCCCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-hexylacetamide?
The InChIKey is ABSXCPJNJUCDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-2-3-4-5-6-12-7(13)8(9,10)11/h2-6H2,1H3,(H,12,13).
What are the key properties of 2,2,2-trifluoro-N-hexylacetamide?
2,2,2-trifluoro-N-hexylacetamide has a molecular weight of 197.20 g/mol, XLogP of 2.25, 5 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-hexylacetamide is sourced from PubChem (CID 539424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).