2-[[5,6-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C18H22F12O2 — CID 21063616

IUPAC2-[[5,6-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCC1C(CC)C2C(CC(O)(C(F)(F)F)C(F)(F)F)CC1C2C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H22F12O2/c1-3-8-9(4-2)11-7(6-13(31,15(19,20)21)16(22,23)24)5-10(8)12(11)14(32,17(25,26)27)18(28,29)30/h7-12,31-32H,3-6H2,1-2H3
InChIKeyZAGVGCLPNIKHDM-UHFFFAOYSA-N
MW498.35 g/mol
LogP6.02
Rot. Bonds5

About 2-[[5,6-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[[5,6-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 21063616) has the molecular formula C18H22F12O2 and a molecular weight of 498.35 g/mol. Its IUPAC name is 2-[[5,6-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[[5,6-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID21063616
Molecular FormulaC18H22F12O2
Molecular Weight498.35 g/mol
Exact Mass498.14
IUPAC Name2-[[5,6-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCC1C(CC)C2C(CC(O)(C(F)(F)F)C(F)(F)F)CC1C2C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H22F12O2/c1-3-8-9(4-2)11-7(6-13(31,15(19,20)21)16(22,23)24)5-10(8)12(11)14(32,17(25,26)27)18(28,29)30/h7-12,31-32H,3-6H2,1-2H3
InChIKeyZAGVGCLPNIKHDM-UHFFFAOYSA-N
XLogP6.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.35
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[5,6-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5,6-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[[5,6-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 21063616) is 2-[[5,6-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[[5,6-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[[5,6-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is CCC1C(CC)C2C(CC(O)(C(F)(F)F)C(F)(F)F)CC1C2C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[[5,6-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is ZAGVGCLPNIKHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F12O2/c1-3-8-9(4-2)11-7(6-13(31,15(19,20)21)16(22,23)24)5-10(8)12(11)14(32,17(25,26)27)18(28,29)30/h7-12,31-32H,3-6H2,1-2H3.
What are the key properties of 2-[[5,6-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[[5,6-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 498.35 g/mol, XLogP of 6.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5,6-diethyl-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 21063616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).