(1S,2S,3S,5S)-6,6-difluoro-3-propan-2-yl-8-oxabicyclo[3.2.1]octan-2-ol

C10H16F2O2 — CID 177073066

IUPAC(1S,2S,3S,5S)-6,6-difluoro-3-propan-2-yl-8-oxabicyclo[3.2.1]octan-2-ol
SMILESCC(C)[C@@H]1C[C@@H]2O[C@@H](CC2(F)F)[C@H]1O
InChIInChI=1S/C10H16F2O2/c1-5(2)6-3-8-10(11,12)4-7(14-8)9(6)13/h5-9,13H,3-4H2,1-2H3/t6-,7-,8-,9-/m0/s1
InChIKeyZUBAXZJMHVMXEC-JBDRJPRFSA-N
MW206.23 g/mol
LogP1.82
Rot. Bonds1

About (1S,2S,3S,5S)-6,6-difluoro-3-propan-2-yl-8-oxabicyclo[3.2.1]octan-2-ol

(1S,2S,3S,5S)-6,6-difluoro-3-propan-2-yl-8-oxabicyclo[3.2.1]octan-2-ol (PubChem CID 177073066) has the molecular formula C10H16F2O2 and a molecular weight of 206.23 g/mol. Its IUPAC name is (1S,2S,3S,5S)-6,6-difluoro-3-propan-2-yl-8-oxabicyclo[3.2.1]octan-2-ol.

Molecular Properties

Compound Name(1S,2S,3S,5S)-6,6-difluoro-3-propan-2-yl-8-oxabicyclo[3.2.1]octan-2-ol
PubChem CID177073066
Molecular FormulaC10H16F2O2
Molecular Weight206.23 g/mol
Exact Mass206.11
IUPAC Name(1S,2S,3S,5S)-6,6-difluoro-3-propan-2-yl-8-oxabicyclo[3.2.1]octan-2-ol
SMILESCC(C)[C@@H]1C[C@@H]2O[C@@H](CC2(F)F)[C@H]1O
InChIInChI=1S/C10H16F2O2/c1-5(2)6-3-8-10(11,12)4-7(14-8)9(6)13/h5-9,13H,3-4H2,1-2H3/t6-,7-,8-,9-/m0/s1
InChIKeyZUBAXZJMHVMXEC-JBDRJPRFSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,2S,3S,5S)-6,6-difluoro-3-propan-2-yl-8-oxabicyclo[3.2.1]octan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,5S)-6,6-difluoro-3-propan-2-yl-8-oxabicyclo[3.2.1]octan-2-ol?
The IUPAC name of (1S,2S,3S,5S)-6,6-difluoro-3-propan-2-yl-8-oxabicyclo[3.2.1]octan-2-ol (CID 177073066) is (1S,2S,3S,5S)-6,6-difluoro-3-propan-2-yl-8-oxabicyclo[3.2.1]octan-2-ol.
What is the SMILES notation for (1S,2S,3S,5S)-6,6-difluoro-3-propan-2-yl-8-oxabicyclo[3.2.1]octan-2-ol?
The canonical SMILES for (1S,2S,3S,5S)-6,6-difluoro-3-propan-2-yl-8-oxabicyclo[3.2.1]octan-2-ol is CC(C)[C@@H]1C[C@@H]2O[C@@H](CC2(F)F)[C@H]1O.
What is the InChIKey of (1S,2S,3S,5S)-6,6-difluoro-3-propan-2-yl-8-oxabicyclo[3.2.1]octan-2-ol?
The InChIKey is ZUBAXZJMHVMXEC-JBDRJPRFSA-N. The full InChI is InChI=1S/C10H16F2O2/c1-5(2)6-3-8-10(11,12)4-7(14-8)9(6)13/h5-9,13H,3-4H2,1-2H3/t6-,7-,8-,9-/m0/s1.
What are the key properties of (1S,2S,3S,5S)-6,6-difluoro-3-propan-2-yl-8-oxabicyclo[3.2.1]octan-2-ol?
(1S,2S,3S,5S)-6,6-difluoro-3-propan-2-yl-8-oxabicyclo[3.2.1]octan-2-ol has a molecular weight of 206.23 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,5S)-6,6-difluoro-3-propan-2-yl-8-oxabicyclo[3.2.1]octan-2-ol is sourced from PubChem (CID 177073066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).