(2R)-2-[(3aR,5S,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol

C10H17FO4 — CID 58320965

IUPAC(2R)-2-[(3aR,5S,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol
SMILESC[C@H](CO)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1F
InChIInChI=1S/C10H17FO4/c1-5(4-12)7-6(11)8-9(13-7)15-10(2,3)14-8/h5-9,12H,4H2,1-3H3/t5-,6+,7+,8-,9-/m1/s1
InChIKeyNQCXVFNGDOBUFC-QMGXLNLGSA-N
MW220.24 g/mol
LogP0.83
Rot. Bonds2

About (2R)-2-[(3aR,5S,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol

(2R)-2-[(3aR,5S,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol (PubChem CID 58320965) has the molecular formula C10H17FO4 and a molecular weight of 220.24 g/mol. Its IUPAC name is (2R)-2-[(3aR,5S,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(3aR,5S,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol
PubChem CID58320965
Molecular FormulaC10H17FO4
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name(2R)-2-[(3aR,5S,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol
SMILESC[C@H](CO)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1F
InChIInChI=1S/C10H17FO4/c1-5(4-12)7-6(11)8-9(13-7)15-10(2,3)14-8/h5-9,12H,4H2,1-3H3/t5-,6+,7+,8-,9-/m1/s1
InChIKeyNQCXVFNGDOBUFC-QMGXLNLGSA-N
XLogP0.83
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(3aR,5S,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3aR,5S,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol?
The IUPAC name of (2R)-2-[(3aR,5S,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol (CID 58320965) is (2R)-2-[(3aR,5S,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-[(3aR,5S,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol?
The canonical SMILES for (2R)-2-[(3aR,5S,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol is C[C@H](CO)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1F.
What is the InChIKey of (2R)-2-[(3aR,5S,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol?
The InChIKey is NQCXVFNGDOBUFC-QMGXLNLGSA-N. The full InChI is InChI=1S/C10H17FO4/c1-5(4-12)7-6(11)8-9(13-7)15-10(2,3)14-8/h5-9,12H,4H2,1-3H3/t5-,6+,7+,8-,9-/m1/s1.
What are the key properties of (2R)-2-[(3aR,5S,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol?
(2R)-2-[(3aR,5S,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol has a molecular weight of 220.24 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3aR,5S,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol is sourced from PubChem (CID 58320965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).