4-hydroxy-N-propyl-N-(2,2,2-trifluoroethyl)butanamide

C9H16F3NO2 — CID 79204494

IUPAC4-hydroxy-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCN(CC(F)(F)F)C(=O)CCCO
InChIInChI=1S/C9H16F3NO2/c1-2-5-13(7-9(10,11)12)8(15)4-3-6-14/h14H,2-7H2,1H3
InChIKeyZJOZGFKQEACAQP-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.56
Rot. Bonds6

About 4-hydroxy-N-propyl-N-(2,2,2-trifluoroethyl)butanamide

4-hydroxy-N-propyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 79204494) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 4-hydroxy-N-propyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID79204494
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name4-hydroxy-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCN(CC(F)(F)F)C(=O)CCCO
InChIInChI=1S/C9H16F3NO2/c1-2-5-13(7-9(10,11)12)8(15)4-3-6-14/h14H,2-7H2,1H3
InChIKeyZJOZGFKQEACAQP-UHFFFAOYSA-N
XLogP1.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-hydroxy-N-propyl-N-(2,2,2-trifluoroethyl)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-(N-Methyl-trifluoroacetamido)-1-butanol
CID 10512190
N-(2-fluorocyclopropyl)-4-hydroxy-N-propylbutanamide
CID 58375868
N-(3-fluorobutan-2-yl)-4-hydroxy-N-propylbutanamide
CID 87922265
2,2,2-trifluoro-N-(1-hydroxybutyl)-N-methylacetamide
CID 88174553
(2S)-2-fluoro-4-hydroxy-N,N-dimethylbutanamide
CID 171543133
(2R)-2-fluoro-4-hydroxy-N,N-dimethylbutanamide
CID 171543379
2,2,2-trifluoro-N-hexyl-N-(4-hydroxybutyl)acetamide
CID 44521286
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 64590916
N-ethyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butanamide
CID 65710972
4,4,4-trifluoro-N-(3-hydroxypropyl)-N-propan-2-ylbutanamide
CID 65710976
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propylbutanamide
CID 65711161
N-butyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butanamide
CID 65711162

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-propyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4-hydroxy-N-propyl-N-(2,2,2-trifluoroethyl)butanamide (CID 79204494) is 4-hydroxy-N-propyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4-hydroxy-N-propyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4-hydroxy-N-propyl-N-(2,2,2-trifluoroethyl)butanamide is CCCN(CC(F)(F)F)C(=O)CCCO.
What is the InChIKey of 4-hydroxy-N-propyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is ZJOZGFKQEACAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-2-5-13(7-9(10,11)12)8(15)4-3-6-14/h14H,2-7H2,1H3.
What are the key properties of 4-hydroxy-N-propyl-N-(2,2,2-trifluoroethyl)butanamide?
4-hydroxy-N-propyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 227.23 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-propyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 79204494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).