N-decyl-2,2,2-trifluoroacetamide

C12H22F3NO — CID 603428

IUPACN-decyl-2,2,2-trifluoroacetamide
SMILESCCCCCCCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-2-3-4-5-6-7-8-9-10-16-11(17)12(13,14)15/h2-10H2,1H3,(H,16,17)
InChIKeyUHKFEPMQJVTIJM-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.81
Rot. Bonds9

About N-decyl-2,2,2-trifluoroacetamide

N-decyl-2,2,2-trifluoroacetamide (PubChem CID 603428) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-decyl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-decyl-2,2,2-trifluoroacetamide
PubChem CID603428
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-decyl-2,2,2-trifluoroacetamide
SMILESCCCCCCCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-2-3-4-5-6-7-8-9-10-16-11(17)12(13,14)15/h2-10H2,1H3,(H,16,17)
InChIKeyUHKFEPMQJVTIJM-UHFFFAOYSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.81
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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Related Compounds

N-Dodecylacetamide
CID 19764
N-Hexylacetamide
CID 24129
Acetamide, N-nonyl-
CID 39431
N-Decylacetamide
CID 98880
N-Butyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
CID 3735895
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
N-decylbutanamide
CID 3614377
Acetamide, N-hexadecyl-
CID 3322721
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

Frequently Asked Questions

What is the IUPAC name of N-decyl-2,2,2-trifluoroacetamide?
The IUPAC name of N-decyl-2,2,2-trifluoroacetamide (CID 603428) is N-decyl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-decyl-2,2,2-trifluoroacetamide?
The canonical SMILES for N-decyl-2,2,2-trifluoroacetamide is CCCCCCCCCCNC(=O)C(F)(F)F.
What is the InChIKey of N-decyl-2,2,2-trifluoroacetamide?
The InChIKey is UHKFEPMQJVTIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-2-3-4-5-6-7-8-9-10-16-11(17)12(13,14)15/h2-10H2,1H3,(H,16,17).
What are the key properties of N-decyl-2,2,2-trifluoroacetamide?
N-decyl-2,2,2-trifluoroacetamide has a molecular weight of 253.31 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 603428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).