2-[(3,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C15H20F6O2 — CID 20759715

IUPAC2-[(3,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCC1OC(C)C2C3CC(CC3CC(O)(C(F)(F)F)C(F)(F)F)C12
InChIInChI=1S/C15H20F6O2/c1-6-11-8-3-9(10(4-8)12(11)7(2)23-6)5-13(22,14(16,17)18)15(19,20)21/h6-12,22H,3-5H2,1-2H3
InChIKeyGWGZPMFFCKMNRQ-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.93
Rot. Bonds2

About 2-[(3,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[(3,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 20759715) has the molecular formula C15H20F6O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[(3,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID20759715
Molecular FormulaC15H20F6O2
Molecular Weight346.31 g/mol
Exact Mass346.14
IUPAC Name2-[(3,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCC1OC(C)C2C3CC(CC3CC(O)(C(F)(F)F)C(F)(F)F)C12
InChIInChI=1S/C15H20F6O2/c1-6-11-8-3-9(10(4-8)12(11)7(2)23-6)5-13(22,14(16,17)18)15(19,20)21/h6-12,22H,3-5H2,1-2H3
InChIKeyGWGZPMFFCKMNRQ-UHFFFAOYSA-N
XLogP3.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Related Compounds

5-[2-Ethoxy-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2,3-dimethylbicyclo[2.2.1]heptane
CID 20781757
4-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-3,3-difluoro-2-(trifluoromethyl)oxolan-2-ol
CID 57676511
5-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-3,3-difluoro-2-(trifluoromethyl)oxolan-2-ol
CID 57676693
4-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-3,3-difluoro-5-methyl-2-(trifluoromethyl)oxolane-2,4-diol
CID 57676823
7-(1,1,1,3,3,3-Hexafluoro-2-propoxypropan-2-yl)-2,3-dimethyl-5-[3,3,3-trifluoro-2-propoxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
CID 57806693
2,2,3-Trifluoro-5,6-dimethyl-3-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane
CID 58205688
2-Fluoro-5,6-dimethyl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)bicyclo[2.2.1]heptane
CID 58205746
2-(2-Ethoxy-1,1,1-trifluoropropan-2-yl)-2,3,3-trifluoro-5,6-dimethylbicyclo[2.2.1]heptane
CID 58205753
2-(2-Ethoxy-1,1,1-trifluoropropan-2-yl)-2-fluoro-5,6-dimethylbicyclo[2.2.1]heptane
CID 58205785
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
1,1,1-Trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methyl-2-(trifluoromethyl)pentan-2-ol
CID 58776670
2-(Difluoromethyl)-1,1,1-trifluoro-4-[1,1,1,3,3,3-hexafluoro-2-[(2,3,3-trifluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-yl]oxy-4-methylpentan-2-ol
CID 58776713

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 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) is 2-[(3,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[(3,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[(3,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is CC1OC(C)C2C3CC(CC3CC(O)(C(F)(F)F)C(F)(F)F)C12.
What is the InChIKey of 2-[(3,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is GWGZPMFFCKMNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F6O2/c1-6-11-8-3-9(10(4-8)12(11)7(2)23-6)5-13(22,14(16,17)18)15(19,20)21/h6-12,22H,3-5H2,1-2H3.
What are the key properties of 2-[(3,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[(3,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 346.31 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 20759715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).