N-[(2R,3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide

C₁₀H₁₇F₂NO₂ — CID 158829517

About N-[(2R,3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide

N-[(2R,3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide (PubChem CID 158829517) has the molecular formula C₁₀H₁₇F₂NO₂ and a molecular weight of 221.25 g/mol. Its IUPAC name is N-[(2R,3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R,3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide
• PubChem CID: 158829517
• Molecular Formula: C₁₀H₁₇F₂NO₂
• Molecular Weight: 221.25 g/mol
• Exact Mass: 221.12
• IUPAC Name: N-[(2R,3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide
• SMILES: CC(=O)N[C@H]1C(C)[C@H](F)C(CF)O[C@@H]1C
• InChI: InChI=1S/C10H17F2NO2/c1-5-9(12)8(4-11)15-6(2)10(5)13-7(3)14/h5-6,8-10H,4H2,1-3H3,(H,13,14)/t5?,6-,8?,9+,10+/m1/s1
• InChIKey: IWWGEOFOTRECLU-FGDQUFHRSA-N
• XLogP: 1.22
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	221.25
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide?

The IUPAC name of N-[(2R,3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide (CID 158829517) is N-[(2R,3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide.

What is the SMILES notation for N-[(2R,3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide?

The canonical SMILES for N-[(2R,3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide is CC(=O)N[C@H]1C(C)[C@H](F)C(CF)O[C@@H]1C.

What is the InChIKey of N-[(2R,3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide?

The InChIKey is IWWGEOFOTRECLU-FGDQUFHRSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-5-9(12)8(4-11)15-6(2)10(5)13-7(3)14/h5-6,8-10H,4H2,1-3H3,(H,13,14)/t5?,6-,8?,9+,10+/m1/s1.

What are the key properties of N-[(2R,3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide?

N-[(2R,3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide has a molecular weight of 221.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3S,5S)-5-fluoro-6-(fluoromethyl)-2,4-dimethyloxan-3-yl]acetamide is sourced from PubChem (CID 158829517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158829517 — identifiers, structure, computed properties (public domain)

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