N-(4-ethyloctyl)-2,2,2-trifluoroacetamide

C12H22F3NO — CID 162404610

IUPACN-(4-ethyloctyl)-2,2,2-trifluoroacetamide
SMILESCCCCC(CC)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-3-5-7-10(4-2)8-6-9-16-11(17)12(13,14)15/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyODSXIBQPXVIEJJ-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.66
Rot. Bonds8

About N-(4-ethyloctyl)-2,2,2-trifluoroacetamide

N-(4-ethyloctyl)-2,2,2-trifluoroacetamide (PubChem CID 162404610) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(4-ethyloctyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4-ethyloctyl)-2,2,2-trifluoroacetamide
PubChem CID162404610
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-(4-ethyloctyl)-2,2,2-trifluoroacetamide
SMILESCCCCC(CC)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-3-5-7-10(4-2)8-6-9-16-11(17)12(13,14)15/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyODSXIBQPXVIEJJ-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.66
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-Dodecyl-2,2,2-trifluoroacetamide
CID 611266
N-Hexadecyltrifluoroacetamide
CID 540859
Acetamide, N-(3-propyl-2-hexyl)-
CID 40203
N-(2-Propylpentyl)ethanimidic acid
CID 218531
N-Trifluoroacetyl-2-octylamine
CID 529469
N-Octadecyltrifluoroacetamide
CID 4674726
2,2,2-Trifluoro-n-octylacetamide
CID 535284
n-Decyl-2,2,2-trifluoroacetamide
CID 603428
N-(2-Ethylhexyl)trifluoroacetamide
CID 546371
N-(n-Undecyl)trifluoroacetamide
CID 607652
N-(4-Methylpentyl)-2,2,2-trifluoroacetamide
CID 62727488
3,3,3-trifluoro-N-(4-methylcyclohexyl)propanamide
CID 45806657

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyloctyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4-ethyloctyl)-2,2,2-trifluoroacetamide (CID 162404610) is N-(4-ethyloctyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4-ethyloctyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4-ethyloctyl)-2,2,2-trifluoroacetamide is CCCCC(CC)CCCNC(=O)C(F)(F)F.
What is the InChIKey of N-(4-ethyloctyl)-2,2,2-trifluoroacetamide?
The InChIKey is ODSXIBQPXVIEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-3-5-7-10(4-2)8-6-9-16-11(17)12(13,14)15/h10H,3-9H2,1-2H3,(H,16,17).
What are the key properties of N-(4-ethyloctyl)-2,2,2-trifluoroacetamide?
N-(4-ethyloctyl)-2,2,2-trifluoroacetamide has a molecular weight of 253.31 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyloctyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 162404610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).