1,1,1,3,3,3-hexafluoro-2-(6-fluoro-3-methyl-8-oxabicyclo[3.2.1]octan-6-yl)propan-2-ol

C11H13F7O2 — CID 162550341

IUPAC1,1,1,3,3,3-hexafluoro-2-(6-fluoro-3-methyl-8-oxabicyclo[3.2.1]octan-6-yl)propan-2-ol
SMILESCC1CC2CC(F)(C(O)(C(F)(F)F)C(F)(F)F)C(C1)O2
InChIInChI=1S/C11H13F7O2/c1-5-2-6-4-8(12,7(3-5)20-6)9(19,10(13,14)15)11(16,17)18/h5-7,19H,2-4H2,1H3
InChIKeySYAXLIAEEBHJGJ-UHFFFAOYSA-N
MW310.21 g/mol
LogP3.14
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-(6-fluoro-3-methyl-8-oxabicyclo[3.2.1]octan-6-yl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(6-fluoro-3-methyl-8-oxabicyclo[3.2.1]octan-6-yl)propan-2-ol (PubChem CID 162550341) has the molecular formula C11H13F7O2 and a molecular weight of 310.21 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(6-fluoro-3-methyl-8-oxabicyclo[3.2.1]octan-6-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(6-fluoro-3-methyl-8-oxabicyclo[3.2.1]octan-6-yl)propan-2-ol
PubChem CID162550341
Molecular FormulaC11H13F7O2
Molecular Weight310.21 g/mol
Exact Mass310.08
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(6-fluoro-3-methyl-8-oxabicyclo[3.2.1]octan-6-yl)propan-2-ol
SMILESCC1CC2CC(F)(C(O)(C(F)(F)F)C(F)(F)F)C(C1)O2
InChIInChI=1S/C11H13F7O2/c1-5-2-6-4-8(12,7(3-5)20-6)9(19,10(13,14)15)11(16,17)18/h5-7,19H,2-4H2,1H3
InChIKeySYAXLIAEEBHJGJ-UHFFFAOYSA-N
XLogP3.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.21
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1,1,3,3,3-hexafluoro-2-(6-fluoro-3-methyl-8-oxabicyclo[3.2.1]octan-6-yl)propan-2-ol with MolForge

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Related Compounds

1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol
CID 20743874
1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;2-methylpropane
CID 91230238
(5S)-3-methyl-6-oxabicyclo[3.1.1]heptane
CID 154522264
2-(2,5-difluoro-6-methyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1,2,2-trifluoropropane
CID 159834698
1,1,1-trifluoro-3-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol
CID 58051828
(1S,5R)-3-methyl-8-oxabicyclo[3.2.1]octane
CID 155450472
(1-fluoro-3-methylcyclobutyl)methanol
CID 176834219
1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;3-methyl-3-(trifluoromethyl)pentane
CID 91018341
3,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-ol
CID 64737726
2-(3,3-difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 59678767
1,1,1,3,3,3-hexafluoro-2-(3-methyl-1-adamantyl)propan-2-ol
CID 59460064
[6-fluoro-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methyl-3-bicyclo[3.2.1]octanyl] 2-methylpropanoate
CID 143282719

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(6-fluoro-3-methyl-8-oxabicyclo[3.2.1]octan-6-yl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(6-fluoro-3-methyl-8-oxabicyclo[3.2.1]octan-6-yl)propan-2-ol (CID 162550341) is 1,1,1,3,3,3-hexafluoro-2-(6-fluoro-3-methyl-8-oxabicyclo[3.2.1]octan-6-yl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(6-fluoro-3-methyl-8-oxabicyclo[3.2.1]octan-6-yl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(6-fluoro-3-methyl-8-oxabicyclo[3.2.1]octan-6-yl)propan-2-ol is CC1CC2CC(F)(C(O)(C(F)(F)F)C(F)(F)F)C(C1)O2.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(6-fluoro-3-methyl-8-oxabicyclo[3.2.1]octan-6-yl)propan-2-ol?
The InChIKey is SYAXLIAEEBHJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F7O2/c1-5-2-6-4-8(12,7(3-5)20-6)9(19,10(13,14)15)11(16,17)18/h5-7,19H,2-4H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(6-fluoro-3-methyl-8-oxabicyclo[3.2.1]octan-6-yl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(6-fluoro-3-methyl-8-oxabicyclo[3.2.1]octan-6-yl)propan-2-ol has a molecular weight of 310.21 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(6-fluoro-3-methyl-8-oxabicyclo[3.2.1]octan-6-yl)propan-2-ol is sourced from PubChem (CID 162550341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).