2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide

C6H10F3NO2 — CID 3586224

IUPAC2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide
SMILESO=C(NCCCCO)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c7-6(8,9)5(12)10-3-1-2-4-11/h11H,1-4H2,(H,10,12)
InChIKeyLZUDPIMZEXACCH-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.44
Rot. Bonds4

About 2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide

2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide (PubChem CID 3586224) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide
PubChem CID3586224
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide
SMILESO=C(NCCCCO)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c7-6(8,9)5(12)10-3-1-2-4-11/h11H,1-4H2,(H,10,12)
InChIKeyLZUDPIMZEXACCH-UHFFFAOYSA-N
XLogP0.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.44
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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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide (CID 3586224) is 2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide is O=C(NCCCCO)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide?
The InChIKey is LZUDPIMZEXACCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c7-6(8,9)5(12)10-3-1-2-4-11/h11H,1-4H2,(H,10,12).
What are the key properties of 2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide?
2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide has a molecular weight of 185.14 g/mol, XLogP of 0.44, 4 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-hydroxybutyl)acetamide is sourced from PubChem (CID 3586224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).