2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]acetamide

C8H10F6N2O2 — CID 581000

IUPAC2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]acetamide
SMILESO=C(NCCCCNC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6N2O2/c9-7(10,11)5(17)15-3-1-2-4-16-6(18)8(12,13)14/h1-4H2,(H,15,17)(H,16,18)
InChIKeyUDCFIGLAHCJHBP-UHFFFAOYSA-N
MW280.17 g/mol
LogP1.12
Rot. Bonds5

About 2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]acetamide

2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]acetamide (PubChem CID 581000) has the molecular formula C8H10F6N2O2 and a molecular weight of 280.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]acetamide
PubChem CID581000
Molecular FormulaC8H10F6N2O2
Molecular Weight280.17 g/mol
Exact Mass280.06
IUPAC Name2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]acetamide
SMILESO=C(NCCCCNC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6N2O2/c9-7(10,11)5(17)15-3-1-2-4-16-6(18)8(12,13)14/h1-4H2,(H,15,17)(H,16,18)
InChIKeyUDCFIGLAHCJHBP-UHFFFAOYSA-N
XLogP1.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 51.12
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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Related Compounds

2,2,2-trifluoro-N-[3-[4-[3-[(2,2,2-trifluoroacetyl)amino]propylamino]butylamino]propyl]acetamide
CID 388776
2,2,3,3-Tetrafluoro-N-[3-(2,2,3,3-tetrafluoro-propionylamino)-propyl]-propionamide
CID 648167
N-Butyltrifluoroacetamide
CID 283366
N,N'-Bis(heptafluorobutyryl)putrescine
CID 614611
n-Butyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 614617
2,2,3,3,4,4,4-Heptafluoro-n-propylbutanamide
CID 614782
N,N'-bis(Perfluorobutanoyl)1,6-hexanediamine
CID 4396391
2,2,2-Trifluoro-n-propylacetamide
CID 580996
N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 5094771
2,2,2-trifluoro-N-[4-[3-[(2,2,2-trifluoroacetyl)amino]propylamino]butyl]acetamide
CID 389609
2,2,3,3,4,4,4-heptafluoro-N-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)ethyl]butanamide
CID 350051
N,N'-bis(Perfluorobutanoyl)1,5-pentanediamine
CID 3089628

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]acetamide (CID 581000) is 2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]acetamide is O=C(NCCCCNC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]acetamide?
The InChIKey is UDCFIGLAHCJHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6N2O2/c9-7(10,11)5(17)15-3-1-2-4-16-6(18)8(12,13)14/h1-4H2,(H,15,17)(H,16,18).
What are the key properties of 2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]acetamide?
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]acetamide has a molecular weight of 280.17 g/mol, XLogP of 1.12, 5 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-[4-[(2,2,2-trifluoroacetyl)amino]butyl]acetamide is sourced from PubChem (CID 581000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).