[(3aR,5R,6S,6aS)-6-ethenyl-6-fluoro-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol

C10H15FO4 — CID 102203286

IUPAC[(3aR,5R,6S,6aS)-6-ethenyl-6-fluoro-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
SMILESC=C[C@]1(F)[C@@H](CO)O[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C10H15FO4/c1-4-10(11)6(5-12)13-8-7(10)14-9(2,3)15-8/h4,6-8,12H,1,5H2,2-3H3/t6-,7+,8-,10+/m1/s1
InChIKeyKPZLIQFNIREOKV-JIOCBJNQSA-N
MW218.22 g/mol
LogP0.75
Rot. Bonds2

About [(3aR,5R,6S,6aS)-6-ethenyl-6-fluoro-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol

[(3aR,5R,6S,6aS)-6-ethenyl-6-fluoro-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol (PubChem CID 102203286) has the molecular formula C10H15FO4 and a molecular weight of 218.22 g/mol. Its IUPAC name is [(3aR,5R,6S,6aS)-6-ethenyl-6-fluoro-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol.

Molecular Properties

Compound Name[(3aR,5R,6S,6aS)-6-ethenyl-6-fluoro-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
PubChem CID102203286
Molecular FormulaC10H15FO4
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name[(3aR,5R,6S,6aS)-6-ethenyl-6-fluoro-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
SMILESC=C[C@]1(F)[C@@H](CO)O[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C10H15FO4/c1-4-10(11)6(5-12)13-8-7(10)14-9(2,3)15-8/h4,6-8,12H,1,5H2,2-3H3/t6-,7+,8-,10+/m1/s1
InChIKeyKPZLIQFNIREOKV-JIOCBJNQSA-N
XLogP0.75
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [(3aR,5R,6S,6aS)-6-ethenyl-6-fluoro-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol?
The IUPAC name of [(3aR,5R,6S,6aS)-6-ethenyl-6-fluoro-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol (CID 102203286) is [(3aR,5R,6S,6aS)-6-ethenyl-6-fluoro-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol.
What is the SMILES notation for [(3aR,5R,6S,6aS)-6-ethenyl-6-fluoro-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol?
The canonical SMILES for [(3aR,5R,6S,6aS)-6-ethenyl-6-fluoro-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol is C=C[C@]1(F)[C@@H](CO)O[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of [(3aR,5R,6S,6aS)-6-ethenyl-6-fluoro-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol?
The InChIKey is KPZLIQFNIREOKV-JIOCBJNQSA-N. The full InChI is InChI=1S/C10H15FO4/c1-4-10(11)6(5-12)13-8-7(10)14-9(2,3)15-8/h4,6-8,12H,1,5H2,2-3H3/t6-,7+,8-,10+/m1/s1.
What are the key properties of [(3aR,5R,6S,6aS)-6-ethenyl-6-fluoro-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol?
[(3aR,5R,6S,6aS)-6-ethenyl-6-fluoro-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol has a molecular weight of 218.22 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,5R,6S,6aS)-6-ethenyl-6-fluoro-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol is sourced from PubChem (CID 102203286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).