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

C9H16FNO5 — CID 23234197

IUPACN-[(2S,3R,4R,5R,6S)-6-(fluoromethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide
SMILESCO[C@H]1O[C@H](CF)[C@H](O)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C9H16FNO5/c1-4(12)11-6-8(14)7(13)5(3-10)16-9(6)15-2/h5-9,13-14H,3H2,1-2H3,(H,11,12)/t5-,6-,7+,8-,9+/m1/s1
InChIKeyVGKZAKQBHODFLA-ZEBDFXRSSA-N
MW237.23 g/mol
LogP-1.45
Rot. Bonds3

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

N-[(2S,3R,4R,5R,6S)-6-(fluoromethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide (PubChem CID 23234197) has the molecular formula C9H16FNO5 and a molecular weight of 237.23 g/mol. Its IUPAC name is N-[(2S,3R,4R,5R,6S)-6-(fluoromethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R,4R,5R,6S)-6-(fluoromethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide
PubChem CID23234197
Molecular FormulaC9H16FNO5
Molecular Weight237.23 g/mol
Exact Mass237.10
IUPAC NameN-[(2S,3R,4R,5R,6S)-6-(fluoromethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide
SMILESCO[C@H]1O[C@H](CF)[C@H](O)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C9H16FNO5/c1-4(12)11-6-8(14)7(13)5(3-10)16-9(6)15-2/h5-9,13-14H,3H2,1-2H3,(H,11,12)/t5-,6-,7+,8-,9+/m1/s1
InChIKeyVGKZAKQBHODFLA-ZEBDFXRSSA-N
XLogP-1.45
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4R,5R,6S)-6-(fluoromethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide?
The IUPAC name of N-[(2S,3R,4R,5R,6S)-6-(fluoromethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide (CID 23234197) is N-[(2S,3R,4R,5R,6S)-6-(fluoromethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3R,4R,5R,6S)-6-(fluoromethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3R,4R,5R,6S)-6-(fluoromethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide is CO[C@H]1O[C@H](CF)[C@H](O)[C@H](O)[C@H]1NC(C)=O.
What is the InChIKey of N-[(2S,3R,4R,5R,6S)-6-(fluoromethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide?
The InChIKey is VGKZAKQBHODFLA-ZEBDFXRSSA-N. The full InChI is InChI=1S/C9H16FNO5/c1-4(12)11-6-8(14)7(13)5(3-10)16-9(6)15-2/h5-9,13-14H,3H2,1-2H3,(H,11,12)/t5-,6-,7+,8-,9+/m1/s1.
What are the key properties of N-[(2S,3R,4R,5R,6S)-6-(fluoromethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide?
N-[(2S,3R,4R,5R,6S)-6-(fluoromethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide has a molecular weight of 237.23 g/mol, XLogP of -1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4R,5R,6S)-6-(fluoromethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide is sourced from PubChem (CID 23234197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).