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

C10H16F3NO3 — CID 86738948

IUPAC2,2,2-trifluoro-N-[(2S,3R,4S,6R)-6-methoxy-2,3-dimethyloxan-4-yl]acetamide
SMILESCO[C@H]1C[C@H](NC(=O)C(F)(F)F)[C@@H](C)[C@H](C)O1
InChIInChI=1S/C10H16F3NO3/c1-5-6(2)17-8(16-3)4-7(5)14-9(15)10(11,12)13/h5-8H,4H2,1-3H3,(H,14,15)/t5-,6-,7-,8+/m0/s1
InChIKeyQJXGCPLXGGDPCQ-DKXJUACHSA-N
MW255.24 g/mol
LogP1.45
Rot. Bonds2

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

2,2,2-trifluoro-N-[(2S,3R,4S,6R)-6-methoxy-2,3-dimethyloxan-4-yl]acetamide (PubChem CID 86738948) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2S,3R,4S,6R)-6-methoxy-2,3-dimethyloxan-4-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2S,3R,4S,6R)-6-methoxy-2,3-dimethyloxan-4-yl]acetamide
PubChem CID86738948
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name2,2,2-trifluoro-N-[(2S,3R,4S,6R)-6-methoxy-2,3-dimethyloxan-4-yl]acetamide
SMILESCO[C@H]1C[C@H](NC(=O)C(F)(F)F)[C@@H](C)[C@H](C)O1
InChIInChI=1S/C10H16F3NO3/c1-5-6(2)17-8(16-3)4-7(5)14-9(15)10(11,12)13/h5-8H,4H2,1-3H3,(H,14,15)/t5-,6-,7-,8+/m0/s1
InChIKeyQJXGCPLXGGDPCQ-DKXJUACHSA-N
XLogP1.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
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-methoxy-2,3-dimethyloxan-4-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2S,3R,4S,6R)-6-methoxy-2,3-dimethyloxan-4-yl]acetamide (CID 86738948) is 2,2,2-trifluoro-N-[(2S,3R,4S,6R)-6-methoxy-2,3-dimethyloxan-4-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2S,3R,4S,6R)-6-methoxy-2,3-dimethyloxan-4-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2S,3R,4S,6R)-6-methoxy-2,3-dimethyloxan-4-yl]acetamide is CO[C@H]1C[C@H](NC(=O)C(F)(F)F)[C@@H](C)[C@H](C)O1.
What is the InChIKey of 2,2,2-trifluoro-N-[(2S,3R,4S,6R)-6-methoxy-2,3-dimethyloxan-4-yl]acetamide?
The InChIKey is QJXGCPLXGGDPCQ-DKXJUACHSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-5-6(2)17-8(16-3)4-7(5)14-9(15)10(11,12)13/h5-8H,4H2,1-3H3,(H,14,15)/t5-,6-,7-,8+/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2S,3R,4S,6R)-6-methoxy-2,3-dimethyloxan-4-yl]acetamide?
2,2,2-trifluoro-N-[(2S,3R,4S,6R)-6-methoxy-2,3-dimethyloxan-4-yl]acetamide has a molecular weight of 255.24 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 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-methoxy-2,3-dimethyloxan-4-yl]acetamide is sourced from PubChem (CID 86738948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).