(2R,5S)-2-[(E)-3-fluoroprop-1-enyl]-5-methyloxolane-3,4-diol

C8H13FO3 — CID 89260219

IUPAC(2R,5S)-2-[(E)-3-fluoroprop-1-enyl]-5-methyloxolane-3,4-diol
SMILESC[C@@H]1O[C@H](/C=C/CF)C(O)C1O
InChIInChI=1S/C8H13FO3/c1-5-7(10)8(11)6(12-5)3-2-4-9/h2-3,5-8,10-11H,4H2,1H3/b3-2+/t5-,6+,7?,8?/m0/s1
InChIKeyWAVBHSPCVCDLLN-YWNSZCJUSA-N
MW176.19 g/mol
LogP0.02
Rot. Bonds2

About (2R,5S)-2-[(E)-3-fluoroprop-1-enyl]-5-methyloxolane-3,4-diol

(2R,5S)-2-[(E)-3-fluoroprop-1-enyl]-5-methyloxolane-3,4-diol (PubChem CID 89260219) has the molecular formula C8H13FO3 and a molecular weight of 176.19 g/mol. Its IUPAC name is (2R,5S)-2-[(E)-3-fluoroprop-1-enyl]-5-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,5S)-2-[(E)-3-fluoroprop-1-enyl]-5-methyloxolane-3,4-diol
PubChem CID89260219
Molecular FormulaC8H13FO3
Molecular Weight176.19 g/mol
Exact Mass176.08
IUPAC Name(2R,5S)-2-[(E)-3-fluoroprop-1-enyl]-5-methyloxolane-3,4-diol
SMILESC[C@@H]1O[C@H](/C=C/CF)C(O)C1O
InChIInChI=1S/C8H13FO3/c1-5-7(10)8(11)6(12-5)3-2-4-9/h2-3,5-8,10-11H,4H2,1H3/b3-2+/t5-,6+,7?,8?/m0/s1
InChIKeyWAVBHSPCVCDLLN-YWNSZCJUSA-N
XLogP0.02
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 50.02
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 (2R,5S)-2-[(E)-3-fluoroprop-1-enyl]-5-methyloxolane-3,4-diol?
The IUPAC name of (2R,5S)-2-[(E)-3-fluoroprop-1-enyl]-5-methyloxolane-3,4-diol (CID 89260219) is (2R,5S)-2-[(E)-3-fluoroprop-1-enyl]-5-methyloxolane-3,4-diol.
What is the SMILES notation for (2R,5S)-2-[(E)-3-fluoroprop-1-enyl]-5-methyloxolane-3,4-diol?
The canonical SMILES for (2R,5S)-2-[(E)-3-fluoroprop-1-enyl]-5-methyloxolane-3,4-diol is C[C@@H]1O[C@H](/C=C/CF)C(O)C1O.
What is the InChIKey of (2R,5S)-2-[(E)-3-fluoroprop-1-enyl]-5-methyloxolane-3,4-diol?
The InChIKey is WAVBHSPCVCDLLN-YWNSZCJUSA-N. The full InChI is InChI=1S/C8H13FO3/c1-5-7(10)8(11)6(12-5)3-2-4-9/h2-3,5-8,10-11H,4H2,1H3/b3-2+/t5-,6+,7?,8?/m0/s1.
What are the key properties of (2R,5S)-2-[(E)-3-fluoroprop-1-enyl]-5-methyloxolane-3,4-diol?
(2R,5S)-2-[(E)-3-fluoroprop-1-enyl]-5-methyloxolane-3,4-diol has a molecular weight of 176.19 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-[(E)-3-fluoroprop-1-enyl]-5-methyloxolane-3,4-diol is sourced from PubChem (CID 89260219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).