ethane;1,1,1,3,3,3-hexafluoro-2-methoxy-2-methylpropane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol

C15H27F6NO2 — CID 169255902

IUPACethane;1,1,1,3,3,3-hexafluoro-2-methoxy-2-methylpropane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol
SMILESCC.COC(C)(C(F)(F)F)C(F)(F)F.OCC12CCCN1CCC2
InChIInChI=1S/C8H15NO.C5H6F6O.C2H6/c10-7-8-3-1-5-9(8)6-2-4-8;1-3(12-2,4(6,7)8)5(9,10)11;1-2/h10H,1-7H2;1-2H3;1-2H3
InChIKeyKMYQJNLBKHXIPM-UHFFFAOYSA-N
MW367.37 g/mol
LogP4.15
Rot. Bonds2

About ethane;1,1,1,3,3,3-hexafluoro-2-methoxy-2-methylpropane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol

ethane;1,1,1,3,3,3-hexafluoro-2-methoxy-2-methylpropane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol (PubChem CID 169255902) has the molecular formula C15H27F6NO2 and a molecular weight of 367.37 g/mol. Its IUPAC name is ethane;1,1,1,3,3,3-hexafluoro-2-methoxy-2-methylpropane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol.

Molecular Properties

Compound Nameethane;1,1,1,3,3,3-hexafluoro-2-methoxy-2-methylpropane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol
PubChem CID169255902
Molecular FormulaC15H27F6NO2
Molecular Weight367.37 g/mol
Exact Mass367.19
IUPAC Nameethane;1,1,1,3,3,3-hexafluoro-2-methoxy-2-methylpropane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol
SMILESCC.COC(C)(C(F)(F)F)C(F)(F)F.OCC12CCCN1CCC2
InChIInChI=1S/C8H15NO.C5H6F6O.C2H6/c10-7-8-3-1-5-9(8)6-2-4-8;1-3(12-2,4(6,7)8)5(9,10)11;1-2/h10H,1-7H2;1-2H3;1-2H3
InChIKeyKMYQJNLBKHXIPM-UHFFFAOYSA-N
XLogP4.15
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1,1,1,3,3,3-hexafluoro-2-methoxy-2-methylpropane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol?
The IUPAC name of ethane;1,1,1,3,3,3-hexafluoro-2-methoxy-2-methylpropane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol (CID 169255902) is ethane;1,1,1,3,3,3-hexafluoro-2-methoxy-2-methylpropane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol.
What is the SMILES notation for ethane;1,1,1,3,3,3-hexafluoro-2-methoxy-2-methylpropane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol?
The canonical SMILES for ethane;1,1,1,3,3,3-hexafluoro-2-methoxy-2-methylpropane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol is CC.COC(C)(C(F)(F)F)C(F)(F)F.OCC12CCCN1CCC2.
What is the InChIKey of ethane;1,1,1,3,3,3-hexafluoro-2-methoxy-2-methylpropane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol?
The InChIKey is KMYQJNLBKHXIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C5H6F6O.C2H6/c10-7-8-3-1-5-9(8)6-2-4-8;1-3(12-2,4(6,7)8)5(9,10)11;1-2/h10H,1-7H2;1-2H3;1-2H3.
What are the key properties of ethane;1,1,1,3,3,3-hexafluoro-2-methoxy-2-methylpropane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol?
ethane;1,1,1,3,3,3-hexafluoro-2-methoxy-2-methylpropane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol has a molecular weight of 367.37 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,1,1,3,3,3-hexafluoro-2-methoxy-2-methylpropane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol is sourced from PubChem (CID 169255902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).