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

C16H20F3NO4 — CID 88695658

IUPAC2,2,2-trifluoro-N-[(2R,3R,4S,6S)-6-methoxy-2-methyl-3-phenylmethoxyoxan-4-yl]acetamide
SMILESCO[C@@H]1C[C@H](NC(=O)C(F)(F)F)[C@@H](OCc2ccccc2)[C@@H](C)O1
InChIInChI=1S/C16H20F3NO4/c1-10-14(23-9-11-6-4-3-5-7-11)12(8-13(22-2)24-10)20-15(21)16(17,18)19/h3-7,10,12-14H,8-9H2,1-2H3,(H,20,21)/t10-,12+,13+,14+/m1/s1
InChIKeyNSGFIYWIBOZCNP-SAXRGWBVSA-N
MW347.33 g/mol
LogP2.40
Rot. Bonds5

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

2,2,2-trifluoro-N-[(2R,3R,4S,6S)-6-methoxy-2-methyl-3-phenylmethoxyoxan-4-yl]acetamide (PubChem CID 88695658) has the molecular formula C16H20F3NO4 and a molecular weight of 347.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2R,3R,4S,6S)-6-methoxy-2-methyl-3-phenylmethoxyoxan-4-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2R,3R,4S,6S)-6-methoxy-2-methyl-3-phenylmethoxyoxan-4-yl]acetamide
PubChem CID88695658
Molecular FormulaC16H20F3NO4
Molecular Weight347.33 g/mol
Exact Mass347.13
IUPAC Name2,2,2-trifluoro-N-[(2R,3R,4S,6S)-6-methoxy-2-methyl-3-phenylmethoxyoxan-4-yl]acetamide
SMILESCO[C@@H]1C[C@H](NC(=O)C(F)(F)F)[C@@H](OCc2ccccc2)[C@@H](C)O1
InChIInChI=1S/C16H20F3NO4/c1-10-14(23-9-11-6-4-3-5-7-11)12(8-13(22-2)24-10)20-15(21)16(17,18)19/h3-7,10,12-14H,8-9H2,1-2H3,(H,20,21)/t10-,12+,13+,14+/m1/s1
InChIKeyNSGFIYWIBOZCNP-SAXRGWBVSA-N
XLogP2.40
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2R,3R,4S,6S)-6-methoxy-2-methyl-3-phenylmethoxyoxan-4-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2R,3R,4S,6S)-6-methoxy-2-methyl-3-phenylmethoxyoxan-4-yl]acetamide (CID 88695658) is 2,2,2-trifluoro-N-[(2R,3R,4S,6S)-6-methoxy-2-methyl-3-phenylmethoxyoxan-4-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2R,3R,4S,6S)-6-methoxy-2-methyl-3-phenylmethoxyoxan-4-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2R,3R,4S,6S)-6-methoxy-2-methyl-3-phenylmethoxyoxan-4-yl]acetamide is CO[C@@H]1C[C@H](NC(=O)C(F)(F)F)[C@@H](OCc2ccccc2)[C@@H](C)O1.
What is the InChIKey of 2,2,2-trifluoro-N-[(2R,3R,4S,6S)-6-methoxy-2-methyl-3-phenylmethoxyoxan-4-yl]acetamide?
The InChIKey is NSGFIYWIBOZCNP-SAXRGWBVSA-N. The full InChI is InChI=1S/C16H20F3NO4/c1-10-14(23-9-11-6-4-3-5-7-11)12(8-13(22-2)24-10)20-15(21)16(17,18)19/h3-7,10,12-14H,8-9H2,1-2H3,(H,20,21)/t10-,12+,13+,14+/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2R,3R,4S,6S)-6-methoxy-2-methyl-3-phenylmethoxyoxan-4-yl]acetamide?
2,2,2-trifluoro-N-[(2R,3R,4S,6S)-6-methoxy-2-methyl-3-phenylmethoxyoxan-4-yl]acetamide has a molecular weight of 347.33 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2R,3R,4S,6S)-6-methoxy-2-methyl-3-phenylmethoxyoxan-4-yl]acetamide is sourced from PubChem (CID 88695658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).