2,2,2-trifluoro-N-(5-hydroxy-4-methylpentyl)acetamide

C8H14F3NO2 — CID 103862042

IUPAC2,2,2-trifluoro-N-(5-hydroxy-4-methylpentyl)acetamide
SMILESCC(CO)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-6(5-13)3-2-4-12-7(14)8(9,10)11/h6,13H,2-5H2,1H3,(H,12,14)
InChIKeyKJGDWGJJBRSDGS-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.07
Rot. Bonds5

About 2,2,2-trifluoro-N-(5-hydroxy-4-methylpentyl)acetamide

2,2,2-trifluoro-N-(5-hydroxy-4-methylpentyl)acetamide (PubChem CID 103862042) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(5-hydroxy-4-methylpentyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(5-hydroxy-4-methylpentyl)acetamide
PubChem CID103862042
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name2,2,2-trifluoro-N-(5-hydroxy-4-methylpentyl)acetamide
SMILESCC(CO)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-6(5-13)3-2-4-12-7(14)8(9,10)11/h6,13H,2-5H2,1H3,(H,12,14)
InChIKeyKJGDWGJJBRSDGS-UHFFFAOYSA-N
XLogP1.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-(5-hydroxy-4-methylpentyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(5-hydroxy-4-methylpentyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(5-hydroxy-4-methylpentyl)acetamide (CID 103862042) is 2,2,2-trifluoro-N-(5-hydroxy-4-methylpentyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(5-hydroxy-4-methylpentyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(5-hydroxy-4-methylpentyl)acetamide is CC(CO)CCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(5-hydroxy-4-methylpentyl)acetamide?
The InChIKey is KJGDWGJJBRSDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-6(5-13)3-2-4-12-7(14)8(9,10)11/h6,13H,2-5H2,1H3,(H,12,14).
What are the key properties of 2,2,2-trifluoro-N-(5-hydroxy-4-methylpentyl)acetamide?
2,2,2-trifluoro-N-(5-hydroxy-4-methylpentyl)acetamide has a molecular weight of 213.20 g/mol, XLogP of 1.07, 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-(5-hydroxy-4-methylpentyl)acetamide is sourced from PubChem (CID 103862042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).