(1S,2S,3R,4S)-1-fluoro-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol

C6H7FO3 — CID 130991963

IUPAC(1S,2S,3R,4S)-1-fluoro-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol
SMILESO[C@H]1[C@@H]2C=C[C@@](F)(O2)[C@H]1O
InChIInChI=1S/C6H7FO3/c7-6-2-1-3(10-6)4(8)5(6)9/h1-5,8-9H/t3-,4-,5-,6+/m0/s1
InChIKeyMMYGLZBYZAFXFA-OMMKOOBNSA-N
MW146.12 g/mol
LogP-0.66
Rot. Bonds

About (1S,2S,3R,4S)-1-fluoro-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol

(1S,2S,3R,4S)-1-fluoro-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol (PubChem CID 130991963) has the molecular formula C6H7FO3 and a molecular weight of 146.12 g/mol. Its IUPAC name is (1S,2S,3R,4S)-1-fluoro-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol.

Molecular Properties

Compound Name(1S,2S,3R,4S)-1-fluoro-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol
PubChem CID130991963
Molecular FormulaC6H7FO3
Molecular Weight146.12 g/mol
Exact Mass146.04
IUPAC Name(1S,2S,3R,4S)-1-fluoro-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol
SMILESO[C@H]1[C@@H]2C=C[C@@](F)(O2)[C@H]1O
InChIInChI=1S/C6H7FO3/c7-6-2-1-3(10-6)4(8)5(6)9/h1-5,8-9H/t3-,4-,5-,6+/m0/s1
InChIKeyMMYGLZBYZAFXFA-OMMKOOBNSA-N
XLogP-0.66
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.12
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,4S)-1-fluoro-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol?
The IUPAC name of (1S,2S,3R,4S)-1-fluoro-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol (CID 130991963) is (1S,2S,3R,4S)-1-fluoro-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol.
What is the SMILES notation for (1S,2S,3R,4S)-1-fluoro-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol?
The canonical SMILES for (1S,2S,3R,4S)-1-fluoro-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol is O[C@H]1[C@@H]2C=C[C@@](F)(O2)[C@H]1O.
What is the InChIKey of (1S,2S,3R,4S)-1-fluoro-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol?
The InChIKey is MMYGLZBYZAFXFA-OMMKOOBNSA-N. The full InChI is InChI=1S/C6H7FO3/c7-6-2-1-3(10-6)4(8)5(6)9/h1-5,8-9H/t3-,4-,5-,6+/m0/s1.
What are the key properties of (1S,2S,3R,4S)-1-fluoro-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol?
(1S,2S,3R,4S)-1-fluoro-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol has a molecular weight of 146.12 g/mol, XLogP of -0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,4S)-1-fluoro-7-oxabicyclo[2.2.1]hept-5-ene-2,3-diol is sourced from PubChem (CID 130991963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).