(1R)-1-[(3aR,5R,6R,6aS)-6-fluoro-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol

C9H15FO6 — CID 91334683

IUPAC(1R)-1-[(3aR,5R,6R,6aS)-6-fluoro-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
SMILESCC1(C)O[C@H]2O[C@H]([C@H](O)CO)[C@@](O)(F)[C@H]2O1
InChIInChI=1S/C9H15FO6/c1-8(2)15-6-7(16-8)14-5(4(12)3-11)9(6,10)13/h4-7,11-13H,3H2,1-2H3/t4-,5-,6+,7-,9+/m1/s1
InChIKeyLKRVPHLOVXWANU-YCOWOFQRSA-N
MW238.21 g/mol
LogP-1.13
Rot. Bonds2

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

(1R)-1-[(3aR,5R,6R,6aS)-6-fluoro-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol (PubChem CID 91334683) has the molecular formula C9H15FO6 and a molecular weight of 238.21 g/mol. Its IUPAC name is (1R)-1-[(3aR,5R,6R,6aS)-6-fluoro-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(3aR,5R,6R,6aS)-6-fluoro-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
PubChem CID91334683
Molecular FormulaC9H15FO6
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC Name(1R)-1-[(3aR,5R,6R,6aS)-6-fluoro-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
SMILESCC1(C)O[C@H]2O[C@H]([C@H](O)CO)[C@@](O)(F)[C@H]2O1
InChIInChI=1S/C9H15FO6/c1-8(2)15-6-7(16-8)14-5(4(12)3-11)9(6,10)13/h4-7,11-13H,3H2,1-2H3/t4-,5-,6+,7-,9+/m1/s1
InChIKeyLKRVPHLOVXWANU-YCOWOFQRSA-N
XLogP-1.13
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (1R)-1-[(3aR,5R,6R,6aS)-6-fluoro-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3aR,5R,6R,6aS)-6-fluoro-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(3aR,5R,6R,6aS)-6-fluoro-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol (CID 91334683) is (1R)-1-[(3aR,5R,6R,6aS)-6-fluoro-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(3aR,5R,6R,6aS)-6-fluoro-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(3aR,5R,6R,6aS)-6-fluoro-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol is CC1(C)O[C@H]2O[C@H]([C@H](O)CO)[C@@](O)(F)[C@H]2O1.
What is the InChIKey of (1R)-1-[(3aR,5R,6R,6aS)-6-fluoro-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol?
The InChIKey is LKRVPHLOVXWANU-YCOWOFQRSA-N. The full InChI is InChI=1S/C9H15FO6/c1-8(2)15-6-7(16-8)14-5(4(12)3-11)9(6,10)13/h4-7,11-13H,3H2,1-2H3/t4-,5-,6+,7-,9+/m1/s1.
What are the key properties of (1R)-1-[(3aR,5R,6R,6aS)-6-fluoro-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol?
(1R)-1-[(3aR,5R,6R,6aS)-6-fluoro-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol has a molecular weight of 238.21 g/mol, XLogP of -1.13, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3aR,5R,6R,6aS)-6-fluoro-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol is sourced from PubChem (CID 91334683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).