2-[6-(2-butan-2-yloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C17H20F12O2 — CID 58820902

IUPAC2-[6-(2-butan-2-yloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCC(C)OC(C1CC2CC1C(C(O)(C(F)(F)F)C(F)(F)F)C2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H20F12O2/c1-3-7(2)31-13(16(24,25)26,17(27,28)29)11-6-8-4-9(11)10(5-8)12(30,14(18,19)20)15(21,22)23/h7-11,30H,3-6H2,1-2H3
InChIKeyNVEFLLVXILTQJE-UHFFFAOYSA-N
MW484.32 g/mol
LogP6.18
Rot. Bonds5

About 2-[6-(2-butan-2-yloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[6-(2-butan-2-yloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 58820902) has the molecular formula C17H20F12O2 and a molecular weight of 484.32 g/mol. Its IUPAC name is 2-[6-(2-butan-2-yloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[6-(2-butan-2-yloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID58820902
Molecular FormulaC17H20F12O2
Molecular Weight484.32 g/mol
Exact Mass484.13
IUPAC Name2-[6-(2-butan-2-yloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCC(C)OC(C1CC2CC1C(C(O)(C(F)(F)F)C(F)(F)F)C2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H20F12O2/c1-3-7(2)31-13(16(24,25)26,17(27,28)29)11-6-8-4-9(11)10(5-8)12(30,14(18,19)20)15(21,22)23/h7-11,30H,3-6H2,1-2H3
InChIKeyNVEFLLVXILTQJE-UHFFFAOYSA-N
XLogP6.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.32
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[6-(2-butan-2-yloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-bicyclo[2.2.1]heptanyl]-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-[6-(2-butan-2-yloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[6-(2-butan-2-yloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 58820902) is 2-[6-(2-butan-2-yloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[6-(2-butan-2-yloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[6-(2-butan-2-yloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is CCC(C)OC(C1CC2CC1C(C(O)(C(F)(F)F)C(F)(F)F)C2)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[6-(2-butan-2-yloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is NVEFLLVXILTQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F12O2/c1-3-7(2)31-13(16(24,25)26,17(27,28)29)11-6-8-4-9(11)10(5-8)12(30,14(18,19)20)15(21,22)23/h7-11,30H,3-6H2,1-2H3.
What are the key properties of 2-[6-(2-butan-2-yloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[6-(2-butan-2-yloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 484.32 g/mol, XLogP of 6.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-butan-2-yloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 58820902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).