4,4,4-trifluoro-N-(5-hydroxypentyl)butanamide

C9H16F3NO2 — CID 107318831

IUPAC4,4,4-trifluoro-N-(5-hydroxypentyl)butanamide
SMILESO=C(CCC(F)(F)F)NCCCCCO
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)5-4-8(15)13-6-2-1-3-7-14/h14H,1-7H2,(H,13,15)
InChIKeyKRSAEIKNGOTBKT-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.61
Rot. Bonds7

About 4,4,4-trifluoro-N-(5-hydroxypentyl)butanamide

4,4,4-trifluoro-N-(5-hydroxypentyl)butanamide (PubChem CID 107318831) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(5-hydroxypentyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(5-hydroxypentyl)butanamide
PubChem CID107318831
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name4,4,4-trifluoro-N-(5-hydroxypentyl)butanamide
SMILESO=C(CCC(F)(F)F)NCCCCCO
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)5-4-8(15)13-6-2-1-3-7-14/h14H,1-7H2,(H,13,15)
InChIKeyKRSAEIKNGOTBKT-UHFFFAOYSA-N
XLogP1.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,4,4-trifluoro-N-(5-hydroxypentyl)butanamide with MolForge

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

Launch Full Analysis

Related Compounds

4,4,4-trifluoro-N-(3-iodopropyl)butanamide
CID 114504286
6-amino-N-(6-hydroxyhexyl)-4,4-dimethylhexanamide
CID 107842588
4-hydroxy-N-[4-(4-hydroxybutanoylamino)butyl]butanamide
CID 6611551
4-(6-hydroxyhexylamino)-4-oxobutanoic acid
CID 82675255
N-(5,5,5-trifluoropentyl)butanamide
CID 115491572
3-(methylamino)-N-(5,5,5-trifluoropentyl)propanamide
CID 115519420
6-hydroxy-N-tetradecylhexanamide
CID 20542961
18-hydroxy-N-octadecyloctadecanamide
CID 10984479
N-(4-hydroxybutyl)-4-oxopentanamide
CID 58331315
N-(3-cyclopentyloxypropyl)-4,4,4-trifluorobutanamide
CID 131949460
N-heptadecyl-4-hydroxybutanamide
CID 100934326
4-hydroxy-N-tetracosylbutanamide
CID 141048355

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(5-hydroxypentyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(5-hydroxypentyl)butanamide (CID 107318831) is 4,4,4-trifluoro-N-(5-hydroxypentyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(5-hydroxypentyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(5-hydroxypentyl)butanamide is O=C(CCC(F)(F)F)NCCCCCO.
What is the InChIKey of 4,4,4-trifluoro-N-(5-hydroxypentyl)butanamide?
The InChIKey is KRSAEIKNGOTBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c10-9(11,12)5-4-8(15)13-6-2-1-3-7-14/h14H,1-7H2,(H,13,15).
What are the key properties of 4,4,4-trifluoro-N-(5-hydroxypentyl)butanamide?
4,4,4-trifluoro-N-(5-hydroxypentyl)butanamide has a molecular weight of 227.23 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(5-hydroxypentyl)butanamide is sourced from PubChem (CID 107318831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).