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

C11H20FNO5 — CID 22214223

IUPACN-[(2S,3R,4R,5S,6S)-6-(fluoromethyl)-2,4,5-trimethoxyoxan-3-yl]acetamide
SMILESCO[C@H]1O[C@H](CF)[C@@H](OC)[C@H](OC)[C@H]1NC(C)=O
InChIInChI=1S/C11H20FNO5/c1-6(14)13-8-10(16-3)9(15-2)7(5-12)18-11(8)17-4/h7-11H,5H2,1-4H3,(H,13,14)/t7-,8-,9-,10-,11+/m1/s1
InChIKeyBQKFXDMBOYQKCB-ILAIQSSSSA-N
MW265.28 g/mol
LogP-0.14
Rot. Bonds5

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

N-[(2S,3R,4R,5S,6S)-6-(fluoromethyl)-2,4,5-trimethoxyoxan-3-yl]acetamide (PubChem CID 22214223) has the molecular formula C11H20FNO5 and a molecular weight of 265.28 g/mol. Its IUPAC name is N-[(2S,3R,4R,5S,6S)-6-(fluoromethyl)-2,4,5-trimethoxyoxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R,4R,5S,6S)-6-(fluoromethyl)-2,4,5-trimethoxyoxan-3-yl]acetamide
PubChem CID22214223
Molecular FormulaC11H20FNO5
Molecular Weight265.28 g/mol
Exact Mass265.13
IUPAC NameN-[(2S,3R,4R,5S,6S)-6-(fluoromethyl)-2,4,5-trimethoxyoxan-3-yl]acetamide
SMILESCO[C@H]1O[C@H](CF)[C@@H](OC)[C@H](OC)[C@H]1NC(C)=O
InChIInChI=1S/C11H20FNO5/c1-6(14)13-8-10(16-3)9(15-2)7(5-12)18-11(8)17-4/h7-11H,5H2,1-4H3,(H,13,14)/t7-,8-,9-,10-,11+/m1/s1
InChIKeyBQKFXDMBOYQKCB-ILAIQSSSSA-N
XLogP-0.14
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4R,5S,6S)-6-(fluoromethyl)-2,4,5-trimethoxyoxan-3-yl]acetamide?
The IUPAC name of N-[(2S,3R,4R,5S,6S)-6-(fluoromethyl)-2,4,5-trimethoxyoxan-3-yl]acetamide (CID 22214223) is N-[(2S,3R,4R,5S,6S)-6-(fluoromethyl)-2,4,5-trimethoxyoxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3R,4R,5S,6S)-6-(fluoromethyl)-2,4,5-trimethoxyoxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3R,4R,5S,6S)-6-(fluoromethyl)-2,4,5-trimethoxyoxan-3-yl]acetamide is CO[C@H]1O[C@H](CF)[C@@H](OC)[C@H](OC)[C@H]1NC(C)=O.
What is the InChIKey of N-[(2S,3R,4R,5S,6S)-6-(fluoromethyl)-2,4,5-trimethoxyoxan-3-yl]acetamide?
The InChIKey is BQKFXDMBOYQKCB-ILAIQSSSSA-N. The full InChI is InChI=1S/C11H20FNO5/c1-6(14)13-8-10(16-3)9(15-2)7(5-12)18-11(8)17-4/h7-11H,5H2,1-4H3,(H,13,14)/t7-,8-,9-,10-,11+/m1/s1.
What are the key properties of N-[(2S,3R,4R,5S,6S)-6-(fluoromethyl)-2,4,5-trimethoxyoxan-3-yl]acetamide?
N-[(2S,3R,4R,5S,6S)-6-(fluoromethyl)-2,4,5-trimethoxyoxan-3-yl]acetamide has a molecular weight of 265.28 g/mol, XLogP of -0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4R,5S,6S)-6-(fluoromethyl)-2,4,5-trimethoxyoxan-3-yl]acetamide is sourced from PubChem (CID 22214223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).