(2S,3S)-1-fluoro-1-methoxy-3-[(2S,3S)-3-methyloxiran-2-yl]butan-2-ol

C8H15FO3 — CID 102065823

IUPAC(2S,3S)-1-fluoro-1-methoxy-3-[(2S,3S)-3-methyloxiran-2-yl]butan-2-ol
SMILESCOC(F)[C@@H](O)[C@H](C)[C@@H]1O[C@H]1C
InChIInChI=1S/C8H15FO3/c1-4(7-5(2)12-7)6(10)8(9)11-3/h4-8,10H,1-3H3/t4-,5-,6-,7-,8?/m0/s1
InChIKeyVFSWFLCLOBDVIZ-CGRSDTJUSA-N
MW178.20 g/mol
LogP0.71
Rot. Bonds4

About (2S,3S)-1-fluoro-1-methoxy-3-[(2S,3S)-3-methyloxiran-2-yl]butan-2-ol

(2S,3S)-1-fluoro-1-methoxy-3-[(2S,3S)-3-methyloxiran-2-yl]butan-2-ol (PubChem CID 102065823) has the molecular formula C8H15FO3 and a molecular weight of 178.20 g/mol. Its IUPAC name is (2S,3S)-1-fluoro-1-methoxy-3-[(2S,3S)-3-methyloxiran-2-yl]butan-2-ol.

Molecular Properties

Compound Name(2S,3S)-1-fluoro-1-methoxy-3-[(2S,3S)-3-methyloxiran-2-yl]butan-2-ol
PubChem CID102065823
Molecular FormulaC8H15FO3
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name(2S,3S)-1-fluoro-1-methoxy-3-[(2S,3S)-3-methyloxiran-2-yl]butan-2-ol
SMILESCOC(F)[C@@H](O)[C@H](C)[C@@H]1O[C@H]1C
InChIInChI=1S/C8H15FO3/c1-4(7-5(2)12-7)6(10)8(9)11-3/h4-8,10H,1-3H3/t4-,5-,6-,7-,8?/m0/s1
InChIKeyVFSWFLCLOBDVIZ-CGRSDTJUSA-N
XLogP0.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-fluoro-1-methoxy-3-[(2S,3S)-3-methyloxiran-2-yl]butan-2-ol?
The IUPAC name of (2S,3S)-1-fluoro-1-methoxy-3-[(2S,3S)-3-methyloxiran-2-yl]butan-2-ol (CID 102065823) is (2S,3S)-1-fluoro-1-methoxy-3-[(2S,3S)-3-methyloxiran-2-yl]butan-2-ol.
What is the SMILES notation for (2S,3S)-1-fluoro-1-methoxy-3-[(2S,3S)-3-methyloxiran-2-yl]butan-2-ol?
The canonical SMILES for (2S,3S)-1-fluoro-1-methoxy-3-[(2S,3S)-3-methyloxiran-2-yl]butan-2-ol is COC(F)[C@@H](O)[C@H](C)[C@@H]1O[C@H]1C.
What is the InChIKey of (2S,3S)-1-fluoro-1-methoxy-3-[(2S,3S)-3-methyloxiran-2-yl]butan-2-ol?
The InChIKey is VFSWFLCLOBDVIZ-CGRSDTJUSA-N. The full InChI is InChI=1S/C8H15FO3/c1-4(7-5(2)12-7)6(10)8(9)11-3/h4-8,10H,1-3H3/t4-,5-,6-,7-,8?/m0/s1.
What are the key properties of (2S,3S)-1-fluoro-1-methoxy-3-[(2S,3S)-3-methyloxiran-2-yl]butan-2-ol?
(2S,3S)-1-fluoro-1-methoxy-3-[(2S,3S)-3-methyloxiran-2-yl]butan-2-ol has a molecular weight of 178.20 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-fluoro-1-methoxy-3-[(2S,3S)-3-methyloxiran-2-yl]butan-2-ol is sourced from PubChem (CID 102065823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).