2-[2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane

C15H20F6O2 — CID 21360394

IUPAC2-[2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane
SMILESFC(F)(F)C(OC1CCCCO1)(C1CC2CCC1C2)C(F)(F)F
InChIInChI=1S/C15H20F6O2/c16-14(17,18)13(15(19,20)21,23-12-3-1-2-6-22-12)11-8-9-4-5-10(11)7-9/h9-12H,1-8H2
InChIKeyALLASICOVKHDPU-UHFFFAOYSA-N
MW346.31 g/mol
LogP4.83
Rot. Bonds3

About 2-[2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane

2-[2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane (PubChem CID 21360394) has the molecular formula C15H20F6O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is 2-[2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane.

Molecular Properties

Compound Name2-[2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane
PubChem CID21360394
Molecular FormulaC15H20F6O2
Molecular Weight346.31 g/mol
Exact Mass346.14
IUPAC Name2-[2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane
SMILESFC(F)(F)C(OC1CCCCO1)(C1CC2CCC1C2)C(F)(F)F
InChIInChI=1S/C15H20F6O2/c16-14(17,18)13(15(19,20)21,23-12-3-1-2-6-22-12)11-8-9-4-5-10(11)7-9/h9-12H,1-8H2
InChIKeyALLASICOVKHDPU-UHFFFAOYSA-N
XLogP4.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane?
The IUPAC name of 2-[2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane (CID 21360394) is 2-[2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane.
What is the SMILES notation for 2-[2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane?
The canonical SMILES for 2-[2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane is FC(F)(F)C(OC1CCCCO1)(C1CC2CCC1C2)C(F)(F)F.
What is the InChIKey of 2-[2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane?
The InChIKey is ALLASICOVKHDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F6O2/c16-14(17,18)13(15(19,20)21,23-12-3-1-2-6-22-12)11-8-9-4-5-10(11)7-9/h9-12H,1-8H2.
What are the key properties of 2-[2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane?
2-[2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane has a molecular weight of 346.31 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane is sourced from PubChem (CID 21360394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).