2,2,2-trifluoro-N-[1-hydroxy-4-(4-hydroxybutylamino)butyl]acetamide

C10H19F3N2O3 — CID 139911897

IUPAC2,2,2-trifluoro-N-[1-hydroxy-4-(4-hydroxybutylamino)butyl]acetamide
SMILESO=C(NC(O)CCCNCCCCO)C(F)(F)F
InChIInChI=1S/C10H19F3N2O3/c11-10(12,13)9(18)15-8(17)4-3-6-14-5-1-2-7-16/h8,14,16-17H,1-7H2,(H,15,18)
InChIKeyNUQDTONEZBVEOM-UHFFFAOYSA-N
MW272.27 g/mol
LogP0.13
Rot. Bonds9

About 2,2,2-trifluoro-N-[1-hydroxy-4-(4-hydroxybutylamino)butyl]acetamide

2,2,2-trifluoro-N-[1-hydroxy-4-(4-hydroxybutylamino)butyl]acetamide (PubChem CID 139911897) has the molecular formula C10H19F3N2O3 and a molecular weight of 272.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-hydroxy-4-(4-hydroxybutylamino)butyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-hydroxy-4-(4-hydroxybutylamino)butyl]acetamide
PubChem CID139911897
Molecular FormulaC10H19F3N2O3
Molecular Weight272.27 g/mol
Exact Mass272.13
IUPAC Name2,2,2-trifluoro-N-[1-hydroxy-4-(4-hydroxybutylamino)butyl]acetamide
SMILESO=C(NC(O)CCCNCCCCO)C(F)(F)F
InChIInChI=1S/C10H19F3N2O3/c11-10(12,13)9(18)15-8(17)4-3-6-14-5-1-2-7-16/h8,14,16-17H,1-7H2,(H,15,18)
InChIKeyNUQDTONEZBVEOM-UHFFFAOYSA-N
XLogP0.13
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-hydroxy-4-(4-hydroxybutylamino)butyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-hydroxy-4-(4-hydroxybutylamino)butyl]acetamide (CID 139911897) is 2,2,2-trifluoro-N-[1-hydroxy-4-(4-hydroxybutylamino)butyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-hydroxy-4-(4-hydroxybutylamino)butyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-hydroxy-4-(4-hydroxybutylamino)butyl]acetamide is O=C(NC(O)CCCNCCCCO)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[1-hydroxy-4-(4-hydroxybutylamino)butyl]acetamide?
The InChIKey is NUQDTONEZBVEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O3/c11-10(12,13)9(18)15-8(17)4-3-6-14-5-1-2-7-16/h8,14,16-17H,1-7H2,(H,15,18).
What are the key properties of 2,2,2-trifluoro-N-[1-hydroxy-4-(4-hydroxybutylamino)butyl]acetamide?
2,2,2-trifluoro-N-[1-hydroxy-4-(4-hydroxybutylamino)butyl]acetamide has a molecular weight of 272.27 g/mol, XLogP of 0.13, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-hydroxy-4-(4-hydroxybutylamino)butyl]acetamide is sourced from PubChem (CID 139911897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).