2-(2-bicyclo[2.2.2]octanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C12H16F6O — CID 59709606

IUPAC2-(2-bicyclo[2.2.2]octanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(CC1CC2CCC1CC2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H16F6O/c13-11(14,15)10(19,12(16,17)18)6-9-5-7-1-3-8(9)4-2-7/h7-9,19H,1-6H2
InChIKeyGDIILLPEMMHQNC-UHFFFAOYSA-N
MW290.25 g/mol
LogP4.06
Rot. Bonds2

About 2-(2-bicyclo[2.2.2]octanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(2-bicyclo[2.2.2]octanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 59709606) has the molecular formula C12H16F6O and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.2]octanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.2]octanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID59709606
Molecular FormulaC12H16F6O
Molecular Weight290.25 g/mol
Exact Mass290.11
IUPAC Name2-(2-bicyclo[2.2.2]octanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(CC1CC2CCC1CC2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H16F6O/c13-11(14,15)10(19,12(16,17)18)6-9-5-7-1-3-8(9)4-2-7/h7-9,19H,1-6H2
InChIKeyGDIILLPEMMHQNC-UHFFFAOYSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-bicyclo[2.2.2]octanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanethiol
CID 88533788
1,1,1,3,3,3-hexafluoro-2-[(5-sulfanyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[(6-sulfanyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol
CID 161272157
1,1,1,3,3,3-hexafluoro-2-[[(5R)-5-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(5S)-5-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(6S)-6-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[(6R)-6-sulfanyl-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol
CID 157286108
1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;2-methylpropane
CID 91518589
2-(2-bicyclo[2.2.1]heptanylmethyl)-6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-2-enoic acid
CID 90957271
8-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-(trifluoromethyl)octan-2-ol;2-methylpropane
CID 91137531
2-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 51777258
[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2,2,2-trifluoroacetate
CID 11176707
2-[(2,5-dimethylcyclohex-3-en-1-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 126626962
3-(2-bicyclo[2.2.1]heptanyl)-2,2-difluoropropane-1-sulfonic acid
CID 129061676
1,1,1,3,3,3-hexafluoro-2-[(6-iodo-5-methyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol
CID 149222725
[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]methyl acetate
CID 135134245

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.2]octanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(2-bicyclo[2.2.2]octanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 59709606) is 2-(2-bicyclo[2.2.2]octanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(2-bicyclo[2.2.2]octanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(2-bicyclo[2.2.2]octanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(CC1CC2CCC1CC2)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(2-bicyclo[2.2.2]octanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is GDIILLPEMMHQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F6O/c13-11(14,15)10(19,12(16,17)18)6-9-5-7-1-3-8(9)4-2-7/h7-9,19H,1-6H2.
What are the key properties of 2-(2-bicyclo[2.2.2]octanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(2-bicyclo[2.2.2]octanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 290.25 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.2]octanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 59709606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).