2,2,2-trifluoro-N-[(2S,3R,4S,6R)-6-hydroxy-2,3-dimethyloxan-4-yl]acetamide

C9H14F3NO3 — CID 86738947

IUPAC2,2,2-trifluoro-N-[(2S,3R,4S,6R)-6-hydroxy-2,3-dimethyloxan-4-yl]acetamide
SMILESC[C@@H]1[C@@H](NC(=O)C(F)(F)F)C[C@H](O)O[C@H]1C
InChIInChI=1S/C9H14F3NO3/c1-4-5(2)16-7(14)3-6(4)13-8(15)9(10,11)12/h4-7,14H,3H2,1-2H3,(H,13,15)/t4-,5-,6-,7+/m0/s1
InChIKeyGDGDCOCMBZIWKL-ZTYPAOSTSA-N
MW241.21 g/mol
LogP0.80
Rot. Bonds1

About 2,2,2-trifluoro-N-[(2S,3R,4S,6R)-6-hydroxy-2,3-dimethyloxan-4-yl]acetamide

2,2,2-trifluoro-N-[(2S,3R,4S,6R)-6-hydroxy-2,3-dimethyloxan-4-yl]acetamide (PubChem CID 86738947) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2S,3R,4S,6R)-6-hydroxy-2,3-dimethyloxan-4-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2S,3R,4S,6R)-6-hydroxy-2,3-dimethyloxan-4-yl]acetamide
PubChem CID86738947
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name2,2,2-trifluoro-N-[(2S,3R,4S,6R)-6-hydroxy-2,3-dimethyloxan-4-yl]acetamide
SMILESC[C@@H]1[C@@H](NC(=O)C(F)(F)F)C[C@H](O)O[C@H]1C
InChIInChI=1S/C9H14F3NO3/c1-4-5(2)16-7(14)3-6(4)13-8(15)9(10,11)12/h4-7,14H,3H2,1-2H3,(H,13,15)/t4-,5-,6-,7+/m0/s1
InChIKeyGDGDCOCMBZIWKL-ZTYPAOSTSA-N
XLogP0.80
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2S,3R,4S,6R)-6-hydroxy-2,3-dimethyloxan-4-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2S,3R,4S,6R)-6-hydroxy-2,3-dimethyloxan-4-yl]acetamide (CID 86738947) is 2,2,2-trifluoro-N-[(2S,3R,4S,6R)-6-hydroxy-2,3-dimethyloxan-4-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2S,3R,4S,6R)-6-hydroxy-2,3-dimethyloxan-4-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2S,3R,4S,6R)-6-hydroxy-2,3-dimethyloxan-4-yl]acetamide is C[C@@H]1[C@@H](NC(=O)C(F)(F)F)C[C@H](O)O[C@H]1C.
What is the InChIKey of 2,2,2-trifluoro-N-[(2S,3R,4S,6R)-6-hydroxy-2,3-dimethyloxan-4-yl]acetamide?
The InChIKey is GDGDCOCMBZIWKL-ZTYPAOSTSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-4-5(2)16-7(14)3-6(4)13-8(15)9(10,11)12/h4-7,14H,3H2,1-2H3,(H,13,15)/t4-,5-,6-,7+/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2S,3R,4S,6R)-6-hydroxy-2,3-dimethyloxan-4-yl]acetamide?
2,2,2-trifluoro-N-[(2S,3R,4S,6R)-6-hydroxy-2,3-dimethyloxan-4-yl]acetamide has a molecular weight of 241.21 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2S,3R,4S,6R)-6-hydroxy-2,3-dimethyloxan-4-yl]acetamide is sourced from PubChem (CID 86738947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).