4,4,4-trifluoro-N-[(2R)-2-hydroxy-3-methylbutyl]butanamide

C9H16F3NO2 — CID 97236930

IUPAC4,4,4-trifluoro-N-[(2R)-2-hydroxy-3-methylbutyl]butanamide
SMILESCC(C)[C@@H](O)CNC(=O)CCC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-6(2)7(14)5-13-8(15)3-4-9(10,11)12/h6-7,14H,3-5H2,1-2H3,(H,13,15)/t7-/m0/s1
InChIKeyMMULSGJKOCBTBC-ZETCQYMHSA-N
MW227.23 g/mol
LogP1.46
Rot. Bonds5

About 4,4,4-trifluoro-N-[(2R)-2-hydroxy-3-methylbutyl]butanamide

4,4,4-trifluoro-N-[(2R)-2-hydroxy-3-methylbutyl]butanamide (PubChem CID 97236930) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(2R)-2-hydroxy-3-methylbutyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(2R)-2-hydroxy-3-methylbutyl]butanamide
PubChem CID97236930
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name4,4,4-trifluoro-N-[(2R)-2-hydroxy-3-methylbutyl]butanamide
SMILESCC(C)[C@@H](O)CNC(=O)CCC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-6(2)7(14)5-13-8(15)3-4-9(10,11)12/h6-7,14H,3-5H2,1-2H3,(H,13,15)/t7-/m0/s1
InChIKeyMMULSGJKOCBTBC-ZETCQYMHSA-N
XLogP1.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,4,4-trifluoro-N-[(2R)-2-hydroxy-3-methylbutyl]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

Xylariamide
CID 102222778
N-[(2S)-1,3-Dihydroxybutan-2-yl]-3-methylbutanamide
CID 44421758
N-(2-hydroxy-3-methylbutyl)-3,3-dimethylbutanamide
CID 71916902
N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide
CID 21743803
2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 57208486
2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 88970157
2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103723042
2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
CID 103723054
3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
CID 103723188
N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103723361
N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
CID 103726161
N-(2,2-difluoro-3-hydroxypropyl)-3-methylbutanamide
CID 104858123

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(2R)-2-hydroxy-3-methylbutyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[(2R)-2-hydroxy-3-methylbutyl]butanamide (CID 97236930) is 4,4,4-trifluoro-N-[(2R)-2-hydroxy-3-methylbutyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(2R)-2-hydroxy-3-methylbutyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(2R)-2-hydroxy-3-methylbutyl]butanamide is CC(C)[C@@H](O)CNC(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-[(2R)-2-hydroxy-3-methylbutyl]butanamide?
The InChIKey is MMULSGJKOCBTBC-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-6(2)7(14)5-13-8(15)3-4-9(10,11)12/h6-7,14H,3-5H2,1-2H3,(H,13,15)/t7-/m0/s1.
What are the key properties of 4,4,4-trifluoro-N-[(2R)-2-hydroxy-3-methylbutyl]butanamide?
4,4,4-trifluoro-N-[(2R)-2-hydroxy-3-methylbutyl]butanamide has a molecular weight of 227.23 g/mol, XLogP of 1.46, 5 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-[(2R)-2-hydroxy-3-methylbutyl]butanamide is sourced from PubChem (CID 97236930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).