2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.2]octan-2-ol

C11H15F5O2 — CID 58589807

IUPAC2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.2]octan-2-ol
SMILESOC(C(F)(F)F)C(F)(F)C1(O)CC2CCC1CC2
InChIInChI=1S/C11H15F5O2/c12-10(13,8(17)11(14,15)16)9(18)5-6-1-3-7(9)4-2-6/h6-8,17-18H,1-5H2
InChIKeyCRMUDKQEONDANS-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.49
Rot. Bonds2

About 2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.2]octan-2-ol

2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.2]octan-2-ol (PubChem CID 58589807) has the molecular formula C11H15F5O2 and a molecular weight of 274.23 g/mol. Its IUPAC name is 2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.2]octan-2-ol.

Molecular Properties

Compound Name2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.2]octan-2-ol
PubChem CID58589807
Molecular FormulaC11H15F5O2
Molecular Weight274.23 g/mol
Exact Mass274.10
IUPAC Name2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.2]octan-2-ol
SMILESOC(C(F)(F)F)C(F)(F)C1(O)CC2CCC1CC2
InChIInChI=1S/C11H15F5O2/c12-10(13,8(17)11(14,15)16)9(18)5-6-1-3-7(9)4-2-6/h6-8,17-18H,1-5H2
InChIKeyCRMUDKQEONDANS-UHFFFAOYSA-N
XLogP2.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol
CID 58589812
(1R,2S,4S)-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol
CID 101087831
2-(trifluoromethyl)bicyclo[2.2.2]octan-2-amine
CID 131064547
2,2-difluorobicyclo[2.2.2]octane
CID 45090368
(2R)-2-methylbicyclo[2.2.2]octan-2-ol
CID 13329636
1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;2-methylpropane
CID 91230238
1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol
CID 20743874
4-[1-(trifluoromethyl)cyclopropyl]cyclohexan-1-ol
CID 155319982
1,1,1-trifluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol
CID 58165688
(2S)-1,1,1,3,3,4,4,4-octafluorobutan-2-ol
CID 98055023
6-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[3.1.0]hexan-6-ol
CID 103310941
4-[2-(4-hydroxycyclohexyl)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 132988122

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.2]octan-2-ol?
The IUPAC name of 2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.2]octan-2-ol (CID 58589807) is 2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.2]octan-2-ol.
What is the SMILES notation for 2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.2]octan-2-ol?
The canonical SMILES for 2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.2]octan-2-ol is OC(C(F)(F)F)C(F)(F)C1(O)CC2CCC1CC2.
What is the InChIKey of 2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.2]octan-2-ol?
The InChIKey is CRMUDKQEONDANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F5O2/c12-10(13,8(17)11(14,15)16)9(18)5-6-1-3-7(9)4-2-6/h6-8,17-18H,1-5H2.
What are the key properties of 2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.2]octan-2-ol?
2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.2]octan-2-ol has a molecular weight of 274.23 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.2]octan-2-ol is sourced from PubChem (CID 58589807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).