2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide

C15H20F9N3O4 — CID 59089270

IUPAC2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
SMILESO=C(NCCCN(CCCN(CCCO)C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H20F9N3O4/c16-13(17,18)10(29)25-4-1-5-26(11(30)14(19,20)21)6-2-7-27(8-3-9-28)12(31)15(22,23)24/h28H,1-9H2,(H,25,29)
InChIKeyGWDVCGSBAHVBNV-UHFFFAOYSA-N
MW477.32 g/mol
LogP1.61
Rot. Bonds11

About 2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide

2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide (PubChem CID 59089270) has the molecular formula C15H20F9N3O4 and a molecular weight of 477.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
PubChem CID59089270
Molecular FormulaC15H20F9N3O4
Molecular Weight477.32 g/mol
Exact Mass477.13
IUPAC Name2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
SMILESO=C(NCCCN(CCCN(CCCO)C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H20F9N3O4/c16-13(17,18)10(29)25-4-1-5-26(11(30)14(19,20)21)6-2-7-27(8-3-9-28)12(31)15(22,23)24/h28H,1-9H2,(H,25,29)
InChIKeyGWDVCGSBAHVBNV-UHFFFAOYSA-N
XLogP1.61
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-Hydroxypropyl)trifluoroacetamide
CID 1987732
2,2,2-trifluoro-N-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 59089269
3-methoxypropan-1-ol;2,2,2-trifluoro-N-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide;2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 91440756
4-hydroxy-N,N-bis[3-[(2,2,2-trifluoroacetyl)amino]propyl]butanamide
CID 137517767
2,2,2-trifluoro-N-[3-[3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoro-1-hydroxyethyl)amino]propyl]amino]propylamino]propyl]acetamide
CID 155185623
N-(2,2-difluoro-3-hydroxypropyl)propanamide;ethane
CID 170583212
N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 171073943
2,2,3,3-tetrafluoro-N,N'-bis(3-hydroxypropyl)butanediamide
CID 3124695
2,2,3,3-tetrafluoro-N-(3-hydroxypropyl)propanamide
CID 3497146
N-ethyl-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
CID 60278251
2,2,2-Trifluoro-1-[3-[(3-hydroxypropylamino)methyl]azetidin-1-yl]ethanone
CID 84059038
N-(3-hydroxypropyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 84362815

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide (CID 59089270) is 2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide is O=C(NCCCN(CCCN(CCCO)C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide?
The InChIKey is GWDVCGSBAHVBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F9N3O4/c16-13(17,18)10(29)25-4-1-5-26(11(30)14(19,20)21)6-2-7-27(8-3-9-28)12(31)15(22,23)24/h28H,1-9H2,(H,25,29).
What are the key properties of 2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide?
2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide has a molecular weight of 477.32 g/mol, XLogP of 1.61, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide is sourced from PubChem (CID 59089270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).