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

C10H16F3NO4 — CID 88744942

IUPAC2,2,2-trifluoro-N-[(2S,3R,4S,6R)-3-hydroxy-6-methoxy-2,3-dimethyloxan-4-yl]acetamide
SMILESCO[C@H]1C[C@H](NC(=O)C(F)(F)F)[C@@](C)(O)[C@H](C)O1
InChIInChI=1S/C10H16F3NO4/c1-5-9(2,16)6(4-7(17-3)18-5)14-8(15)10(11,12)13/h5-7,16H,4H2,1-3H3,(H,14,15)/t5-,6-,7+,9-/m0/s1
InChIKeySVJOHEGECFWIJI-LKHWLPBLSA-N
MW271.24 g/mol
LogP0.57
Rot. Bonds2

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

2,2,2-trifluoro-N-[(2S,3R,4S,6R)-3-hydroxy-6-methoxy-2,3-dimethyloxan-4-yl]acetamide (PubChem CID 88744942) has the molecular formula C10H16F3NO4 and a molecular weight of 271.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2S,3R,4S,6R)-3-hydroxy-6-methoxy-2,3-dimethyloxan-4-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2S,3R,4S,6R)-3-hydroxy-6-methoxy-2,3-dimethyloxan-4-yl]acetamide
PubChem CID88744942
Molecular FormulaC10H16F3NO4
Molecular Weight271.24 g/mol
Exact Mass271.10
IUPAC Name2,2,2-trifluoro-N-[(2S,3R,4S,6R)-3-hydroxy-6-methoxy-2,3-dimethyloxan-4-yl]acetamide
SMILESCO[C@H]1C[C@H](NC(=O)C(F)(F)F)[C@@](C)(O)[C@H](C)O1
InChIInChI=1S/C10H16F3NO4/c1-5-9(2,16)6(4-7(17-3)18-5)14-8(15)10(11,12)13/h5-7,16H,4H2,1-3H3,(H,14,15)/t5-,6-,7+,9-/m0/s1
InChIKeySVJOHEGECFWIJI-LKHWLPBLSA-N
XLogP0.57
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2S,3R,4S,6R)-3-hydroxy-6-methoxy-2,3-dimethyloxan-4-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2S,3R,4S,6R)-3-hydroxy-6-methoxy-2,3-dimethyloxan-4-yl]acetamide (CID 88744942) is 2,2,2-trifluoro-N-[(2S,3R,4S,6R)-3-hydroxy-6-methoxy-2,3-dimethyloxan-4-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2S,3R,4S,6R)-3-hydroxy-6-methoxy-2,3-dimethyloxan-4-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2S,3R,4S,6R)-3-hydroxy-6-methoxy-2,3-dimethyloxan-4-yl]acetamide is CO[C@H]1C[C@H](NC(=O)C(F)(F)F)[C@@](C)(O)[C@H](C)O1.
What is the InChIKey of 2,2,2-trifluoro-N-[(2S,3R,4S,6R)-3-hydroxy-6-methoxy-2,3-dimethyloxan-4-yl]acetamide?
The InChIKey is SVJOHEGECFWIJI-LKHWLPBLSA-N. The full InChI is InChI=1S/C10H16F3NO4/c1-5-9(2,16)6(4-7(17-3)18-5)14-8(15)10(11,12)13/h5-7,16H,4H2,1-3H3,(H,14,15)/t5-,6-,7+,9-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2S,3R,4S,6R)-3-hydroxy-6-methoxy-2,3-dimethyloxan-4-yl]acetamide?
2,2,2-trifluoro-N-[(2S,3R,4S,6R)-3-hydroxy-6-methoxy-2,3-dimethyloxan-4-yl]acetamide has a molecular weight of 271.24 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2S,3R,4S,6R)-3-hydroxy-6-methoxy-2,3-dimethyloxan-4-yl]acetamide is sourced from PubChem (CID 88744942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).