4-aminobutan-1-ol;2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide

C10H21F3N2O3 — CID 161372422

IUPAC4-aminobutan-1-ol;2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide
SMILESNCCCCO.O=C(NCCCCO)C(F)(F)F
InChIInChI=1S/C6H10F3NO2.C4H11NO/c7-6(8,9)5(12)10-3-1-2-4-11;5-3-1-2-4-6/h11H,1-4H2,(H,10,12);6H,1-5H2
InChIKeyVQQDYJLZYYEGPD-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.16
Rot. Bonds7

About 4-aminobutan-1-ol;2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide

4-aminobutan-1-ol;2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide (PubChem CID 161372422) has the molecular formula C10H21F3N2O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-aminobutan-1-ol;2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide.

Molecular Properties

Compound Name4-aminobutan-1-ol;2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide
PubChem CID161372422
Molecular FormulaC10H21F3N2O3
Molecular Weight274.28 g/mol
Exact Mass274.15
IUPAC Name4-aminobutan-1-ol;2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide
SMILESNCCCCO.O=C(NCCCCO)C(F)(F)F
InChIInChI=1S/C6H10F3NO2.C4H11NO/c7-6(8,9)5(12)10-3-1-2-4-11;5-3-1-2-4-6/h11H,1-4H2,(H,10,12);6H,1-5H2
InChIKeyVQQDYJLZYYEGPD-UHFFFAOYSA-N
XLogP0.16
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-aminobutan-1-ol;2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide?
The IUPAC name of 4-aminobutan-1-ol;2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide (CID 161372422) is 4-aminobutan-1-ol;2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide.
What is the SMILES notation for 4-aminobutan-1-ol;2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide?
The canonical SMILES for 4-aminobutan-1-ol;2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide is NCCCCO.O=C(NCCCCO)C(F)(F)F.
What is the InChIKey of 4-aminobutan-1-ol;2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide?
The InChIKey is VQQDYJLZYYEGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2.C4H11NO/c7-6(8,9)5(12)10-3-1-2-4-11;5-3-1-2-4-6/h11H,1-4H2,(H,10,12);6H,1-5H2.
What are the key properties of 4-aminobutan-1-ol;2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide?
4-aminobutan-1-ol;2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide has a molecular weight of 274.28 g/mol, XLogP of 0.16, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutan-1-ol;2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide is sourced from PubChem (CID 161372422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).