(1S,2S,3S,4R,5S)-4-fluoro-3-methyl-6,8-dioxabicyclo[3.2.1]octan-2-ol

C7H11FO3 — CID 176685453

IUPAC(1S,2S,3S,4R,5S)-4-fluoro-3-methyl-6,8-dioxabicyclo[3.2.1]octan-2-ol
SMILESC[C@H]1[C@H](O)[C@@H]2CO[C@@H](O2)[C@@H]1F
InChIInChI=1S/C7H11FO3/c1-3-5(8)7-10-2-4(11-7)6(3)9/h3-7,9H,2H2,1H3/t3-,4+,5-,6+,7+/m1/s1
InChIKeyBUOODLPKFGWRTK-UOYQFSTFSA-N
MW162.16 g/mol
LogP0.08
Rot. Bonds

About (1S,2S,3S,4R,5S)-4-fluoro-3-methyl-6,8-dioxabicyclo[3.2.1]octan-2-ol

(1S,2S,3S,4R,5S)-4-fluoro-3-methyl-6,8-dioxabicyclo[3.2.1]octan-2-ol (PubChem CID 176685453) has the molecular formula C7H11FO3 and a molecular weight of 162.16 g/mol. Its IUPAC name is (1S,2S,3S,4R,5S)-4-fluoro-3-methyl-6,8-dioxabicyclo[3.2.1]octan-2-ol.

Molecular Properties

Compound Name(1S,2S,3S,4R,5S)-4-fluoro-3-methyl-6,8-dioxabicyclo[3.2.1]octan-2-ol
PubChem CID176685453
Molecular FormulaC7H11FO3
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name(1S,2S,3S,4R,5S)-4-fluoro-3-methyl-6,8-dioxabicyclo[3.2.1]octan-2-ol
SMILESC[C@H]1[C@H](O)[C@@H]2CO[C@@H](O2)[C@@H]1F
InChIInChI=1S/C7H11FO3/c1-3-5(8)7-10-2-4(11-7)6(3)9/h3-7,9H,2H2,1H3/t3-,4+,5-,6+,7+/m1/s1
InChIKeyBUOODLPKFGWRTK-UOYQFSTFSA-N
XLogP0.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,2S,3S,4R,5S)-4-fluoro-3-methyl-6,8-dioxabicyclo[3.2.1]octan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,4R,5S)-4-fluoro-3-methyl-6,8-dioxabicyclo[3.2.1]octan-2-ol?
The IUPAC name of (1S,2S,3S,4R,5S)-4-fluoro-3-methyl-6,8-dioxabicyclo[3.2.1]octan-2-ol (CID 176685453) is (1S,2S,3S,4R,5S)-4-fluoro-3-methyl-6,8-dioxabicyclo[3.2.1]octan-2-ol.
What is the SMILES notation for (1S,2S,3S,4R,5S)-4-fluoro-3-methyl-6,8-dioxabicyclo[3.2.1]octan-2-ol?
The canonical SMILES for (1S,2S,3S,4R,5S)-4-fluoro-3-methyl-6,8-dioxabicyclo[3.2.1]octan-2-ol is C[C@H]1[C@H](O)[C@@H]2CO[C@@H](O2)[C@@H]1F.
What is the InChIKey of (1S,2S,3S,4R,5S)-4-fluoro-3-methyl-6,8-dioxabicyclo[3.2.1]octan-2-ol?
The InChIKey is BUOODLPKFGWRTK-UOYQFSTFSA-N. The full InChI is InChI=1S/C7H11FO3/c1-3-5(8)7-10-2-4(11-7)6(3)9/h3-7,9H,2H2,1H3/t3-,4+,5-,6+,7+/m1/s1.
What are the key properties of (1S,2S,3S,4R,5S)-4-fluoro-3-methyl-6,8-dioxabicyclo[3.2.1]octan-2-ol?
(1S,2S,3S,4R,5S)-4-fluoro-3-methyl-6,8-dioxabicyclo[3.2.1]octan-2-ol has a molecular weight of 162.16 g/mol, XLogP of 0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,4R,5S)-4-fluoro-3-methyl-6,8-dioxabicyclo[3.2.1]octan-2-ol is sourced from PubChem (CID 176685453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).