3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-8,9-dimethyltricyclo[5.2.1.02,6]decan-4-ol

C15H20F6O2 — CID 58621783

IUPAC3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-8,9-dimethyltricyclo[5.2.1.02,6]decan-4-ol
SMILESCC1C(C)C2CC1C1CC(O)C(C(O)(C(F)(F)F)C(F)(F)F)C21
InChIInChI=1S/C15H20F6O2/c1-5-6(2)8-3-7(5)9-4-10(22)12(11(8)9)13(23,14(16,17)18)15(19,20)21/h5-12,22-23H,3-4H2,1-2H3
InChIKeyGJQDWOXAYACQPE-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.38
Rot. Bonds1

About 3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-8,9-dimethyltricyclo[5.2.1.02,6]decan-4-ol

3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-8,9-dimethyltricyclo[5.2.1.02,6]decan-4-ol (PubChem CID 58621783) has the molecular formula C15H20F6O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is 3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-8,9-dimethyltricyclo[5.2.1.02,6]decan-4-ol.

Molecular Properties

Compound Name3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-8,9-dimethyltricyclo[5.2.1.02,6]decan-4-ol
PubChem CID58621783
Molecular FormulaC15H20F6O2
Molecular Weight346.31 g/mol
Exact Mass346.14
IUPAC Name3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-8,9-dimethyltricyclo[5.2.1.02,6]decan-4-ol
SMILESCC1C(C)C2CC1C1CC(O)C(C(O)(C(F)(F)F)C(F)(F)F)C21
InChIInChI=1S/C15H20F6O2/c1-5-6(2)8-3-7(5)9-4-10(22)12(11(8)9)13(23,14(16,17)18)15(19,20)21/h5-12,22-23H,3-4H2,1-2H3
InChIKeyGJQDWOXAYACQPE-UHFFFAOYSA-N
XLogP3.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-8,9-dimethyltricyclo[5.2.1.02,6]decan-4-ol with MolForge

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Related Compounds

2-Norbornanol, 3-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-
CID 297765
2,3,3,4,4,5,5,6-Octafluorotricyclo[5.2.1.02,6]decan-8-ol
CID 12040131
2-[(3,5-Dimethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20759715
2-[(4,5-Dimethyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20771584
2,3,3,4,5,5,6-Heptafluoro-4-methyltricyclo[5.2.1.02,6]decan-8-ol
CID 22088755
1,1,1,3,3,3-Hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-ol
CID 23520700
5-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3-pentafluoropentane-2,2,4-triol
CID 23520722
5-(9,10-Dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-1,1,1,3,3-pentafluoropentane-2,2,4-triol
CID 23520729
1,1,1-Trifluoro-2,4-dimethyl-4-[1,1,1-trifluoro-2-methyl-4-(5,8,9-trimethyl-3-tricyclo[5.2.1.02,6]decanyl)butan-2-yl]oxypentan-2-ol
CID 58205902
2-(1,1,3,3,3-Pentafluoro-2-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol
CID 58589812
8-(1,1,3,3,3-Pentafluoro-2-hydroxypropyl)tricyclo[5.2.1.02,6]decan-8-ol
CID 58589814
4-(1,1,3,3,3-Pentafluoro-2-hydroxypropyl)tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
CID 58589816

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-8,9-dimethyltricyclo[5.2.1.02,6]decan-4-ol?
The IUPAC name of 3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-8,9-dimethyltricyclo[5.2.1.02,6]decan-4-ol (CID 58621783) is 3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-8,9-dimethyltricyclo[5.2.1.02,6]decan-4-ol.
What is the SMILES notation for 3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-8,9-dimethyltricyclo[5.2.1.02,6]decan-4-ol?
The canonical SMILES for 3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-8,9-dimethyltricyclo[5.2.1.02,6]decan-4-ol is CC1C(C)C2CC1C1CC(O)C(C(O)(C(F)(F)F)C(F)(F)F)C21.
What is the InChIKey of 3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-8,9-dimethyltricyclo[5.2.1.02,6]decan-4-ol?
The InChIKey is GJQDWOXAYACQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F6O2/c1-5-6(2)8-3-7(5)9-4-10(22)12(11(8)9)13(23,14(16,17)18)15(19,20)21/h5-12,22-23H,3-4H2,1-2H3.
What are the key properties of 3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-8,9-dimethyltricyclo[5.2.1.02,6]decan-4-ol?
3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-8,9-dimethyltricyclo[5.2.1.02,6]decan-4-ol has a molecular weight of 346.31 g/mol, XLogP of 3.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-8,9-dimethyltricyclo[5.2.1.02,6]decan-4-ol is sourced from PubChem (CID 58621783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).