4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butanamide

C9H16F3NO2S — CID 71914582

IUPAC4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butanamide
SMILESCSC(CO)C(C)NC(=O)CCC(F)(F)F
InChIInChI=1S/C9H16F3NO2S/c1-6(7(5-14)16-2)13-8(15)3-4-9(10,11)12/h6-7,14H,3-5H2,1-2H3,(H,13,15)
InChIKeyGZLSRANRROQDAG-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.56
Rot. Bonds6

About 4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butanamide

4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butanamide (PubChem CID 71914582) has the molecular formula C9H16F3NO2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butanamide
PubChem CID71914582
Molecular FormulaC9H16F3NO2S
Molecular Weight259.29 g/mol
Exact Mass259.09
IUPAC Name4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butanamide
SMILESCSC(CO)C(C)NC(=O)CCC(F)(F)F
InChIInChI=1S/C9H16F3NO2S/c1-6(7(5-14)16-2)13-8(15)3-4-9(10,11)12/h6-7,14H,3-5H2,1-2H3,(H,13,15)
InChIKeyGZLSRANRROQDAG-UHFFFAOYSA-N
XLogP1.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butanamide 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 4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butanamide (CID 71914582) is 4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butanamide is CSC(CO)C(C)NC(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butanamide?
The InChIKey is GZLSRANRROQDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2S/c1-6(7(5-14)16-2)13-8(15)3-4-9(10,11)12/h6-7,14H,3-5H2,1-2H3,(H,13,15).
What are the key properties of 4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butanamide?
4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butanamide has a molecular weight of 259.29 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butanamide is sourced from PubChem (CID 71914582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).