[(2S,4S,5S)-5-amino-4-fluoro-2,5-dimethyloxan-4-yl]methanol

C8H16FNO2 — CID 153447617

IUPAC[(2S,4S,5S)-5-amino-4-fluoro-2,5-dimethyloxan-4-yl]methanol
SMILESC[C@H]1C[C@@](F)(CO)[C@@](C)(N)CO1
InChIInChI=1S/C8H16FNO2/c1-6-3-8(9,4-11)7(2,10)5-12-6/h6,11H,3-5,10H2,1-2H3/t6-,7-,8+/m0/s1
InChIKeyBGXITUCPMUQIQE-BIIVOSGPSA-N
MW177.22 g/mol
LogP0.21
Rot. Bonds1

About [(2S,4S,5S)-5-amino-4-fluoro-2,5-dimethyloxan-4-yl]methanol

[(2S,4S,5S)-5-amino-4-fluoro-2,5-dimethyloxan-4-yl]methanol (PubChem CID 153447617) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is [(2S,4S,5S)-5-amino-4-fluoro-2,5-dimethyloxan-4-yl]methanol.

Molecular Properties

Compound Name[(2S,4S,5S)-5-amino-4-fluoro-2,5-dimethyloxan-4-yl]methanol
PubChem CID153447617
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Name[(2S,4S,5S)-5-amino-4-fluoro-2,5-dimethyloxan-4-yl]methanol
SMILESC[C@H]1C[C@@](F)(CO)[C@@](C)(N)CO1
InChIInChI=1S/C8H16FNO2/c1-6-3-8(9,4-11)7(2,10)5-12-6/h6,11H,3-5,10H2,1-2H3/t6-,7-,8+/m0/s1
InChIKeyBGXITUCPMUQIQE-BIIVOSGPSA-N
XLogP0.21
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S,5S)-5-amino-4-fluoro-2,5-dimethyloxan-4-yl]methanol?
The IUPAC name of [(2S,4S,5S)-5-amino-4-fluoro-2,5-dimethyloxan-4-yl]methanol (CID 153447617) is [(2S,4S,5S)-5-amino-4-fluoro-2,5-dimethyloxan-4-yl]methanol.
What is the SMILES notation for [(2S,4S,5S)-5-amino-4-fluoro-2,5-dimethyloxan-4-yl]methanol?
The canonical SMILES for [(2S,4S,5S)-5-amino-4-fluoro-2,5-dimethyloxan-4-yl]methanol is C[C@H]1C[C@@](F)(CO)[C@@](C)(N)CO1.
What is the InChIKey of [(2S,4S,5S)-5-amino-4-fluoro-2,5-dimethyloxan-4-yl]methanol?
The InChIKey is BGXITUCPMUQIQE-BIIVOSGPSA-N. The full InChI is InChI=1S/C8H16FNO2/c1-6-3-8(9,4-11)7(2,10)5-12-6/h6,11H,3-5,10H2,1-2H3/t6-,7-,8+/m0/s1.
What are the key properties of [(2S,4S,5S)-5-amino-4-fluoro-2,5-dimethyloxan-4-yl]methanol?
[(2S,4S,5S)-5-amino-4-fluoro-2,5-dimethyloxan-4-yl]methanol has a molecular weight of 177.22 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S,5S)-5-amino-4-fluoro-2,5-dimethyloxan-4-yl]methanol is sourced from PubChem (CID 153447617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).