ethane;1,1,1,3,3,3-hexafluoro-2-methoxy-2-(trifluoromethyl)propane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol

C15H24F9NO2 — CID 169256002

IUPACethane;1,1,1,3,3,3-hexafluoro-2-methoxy-2-(trifluoromethyl)propane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol
SMILESCC.COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.OCC12CCCN1CCC2
InChIInChI=1S/C8H15NO.C5H3F9O.C2H6/c10-7-8-3-1-5-9(8)6-2-4-8;1-15-2(3(6,7)8,4(9,10)11)5(12,13)14;1-2/h10H,1-7H2;1H3;1-2H3
InChIKeyGLXBITIYDVODTM-UHFFFAOYSA-N
MW421.34 g/mol
LogP4.69
Rot. Bonds2

About ethane;1,1,1,3,3,3-hexafluoro-2-methoxy-2-(trifluoromethyl)propane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol

ethane;1,1,1,3,3,3-hexafluoro-2-methoxy-2-(trifluoromethyl)propane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol (PubChem CID 169256002) has the molecular formula C15H24F9NO2 and a molecular weight of 421.34 g/mol. Its IUPAC name is ethane;1,1,1,3,3,3-hexafluoro-2-methoxy-2-(trifluoromethyl)propane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol.

Molecular Properties

Compound Nameethane;1,1,1,3,3,3-hexafluoro-2-methoxy-2-(trifluoromethyl)propane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol
PubChem CID169256002
Molecular FormulaC15H24F9NO2
Molecular Weight421.34 g/mol
Exact Mass421.17
IUPAC Nameethane;1,1,1,3,3,3-hexafluoro-2-methoxy-2-(trifluoromethyl)propane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol
SMILESCC.COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.OCC12CCCN1CCC2
InChIInChI=1S/C8H15NO.C5H3F9O.C2H6/c10-7-8-3-1-5-9(8)6-2-4-8;1-15-2(3(6,7)8,4(9,10)11)5(12,13)14;1-2/h10H,1-7H2;1H3;1-2H3
InChIKeyGLXBITIYDVODTM-UHFFFAOYSA-N
XLogP4.69
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.34
LogP ≤ 54.69
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-(trifluoromethyl)propane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol?
The IUPAC name of ethane;1,1,1,3,3,3-hexafluoro-2-methoxy-2-(trifluoromethyl)propane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol (CID 169256002) is ethane;1,1,1,3,3,3-hexafluoro-2-methoxy-2-(trifluoromethyl)propane;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-(trifluoromethyl)propane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol?
The canonical SMILES for ethane;1,1,1,3,3,3-hexafluoro-2-methoxy-2-(trifluoromethyl)propane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol is CC.COC(C(F)(F)F)(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-(trifluoromethyl)propane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol?
The InChIKey is GLXBITIYDVODTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C5H3F9O.C2H6/c10-7-8-3-1-5-9(8)6-2-4-8;1-15-2(3(6,7)8,4(9,10)11)5(12,13)14;1-2/h10H,1-7H2;1H3;1-2H3.
What are the key properties of ethane;1,1,1,3,3,3-hexafluoro-2-methoxy-2-(trifluoromethyl)propane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol?
ethane;1,1,1,3,3,3-hexafluoro-2-methoxy-2-(trifluoromethyl)propane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol has a molecular weight of 421.34 g/mol, XLogP of 4.69, 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-(trifluoromethyl)propane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol is sourced from PubChem (CID 169256002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).