N-[(2S,3S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide

C7H12F3NO2 — CID 58879225

IUPACN-[(2S,3S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide
SMILESC[C@@H]([C@@H](CO)NC(=O)C)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-4(7(8,9)10)6(3-12)11-5(2)13/h4,6,12H,3H2,1-2H3,(H,11,13)/t4-,6+/m0/s1
InChIKeyDMEOMGJYDATEJX-UJURSFKZSA-N
MW199.17 g/mol
LogP0.80
Rot. Bonds3

About N-[(2S,3S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide

N-[(2S,3S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide (PubChem CID 58879225) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is N-[(2S,3S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide
PubChem CID58879225
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC NameN-[(2S,3S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide
SMILESC[C@@H]([C@@H](CO)NC(=O)C)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-4(7(8,9)10)6(3-12)11-5(2)13/h4,6,12H,3H2,1-2H3,(H,11,13)/t4-,6+/m0/s1
InChIKeyDMEOMGJYDATEJX-UJURSFKZSA-N
XLogP0.80
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity181

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide?
The IUPAC name of N-[(2S,3S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide (CID 58879225) is N-[(2S,3S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide?
The canonical SMILES for N-[(2S,3S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide is C[C@@H]([C@@H](CO)NC(=O)C)C(F)(F)F.
What is the InChIKey of N-[(2S,3S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide?
The InChIKey is DMEOMGJYDATEJX-UJURSFKZSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-4(7(8,9)10)6(3-12)11-5(2)13/h4,6,12H,3H2,1-2H3,(H,11,13)/t4-,6+/m0/s1.
What are the key properties of N-[(2S,3S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide?
N-[(2S,3S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide has a molecular weight of 199.17 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 58879225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).