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

C13H21F6NO2 — CID 169255888

IUPAC1,1,1,3,3,3-hexafluoro-2-methoxy-2-methylpropane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol
SMILESCOC(C)(C(F)(F)F)C(F)(F)F.OCC12CCCN1CCC2
InChIInChI=1S/C8H15NO.C5H6F6O/c10-7-8-3-1-5-9(8)6-2-4-8;1-3(12-2,4(6,7)8)5(9,10)11/h10H,1-7H2;1-2H3
InChIKeyQFGAYFVMVNALHM-UHFFFAOYSA-N
MW337.30 g/mol
LogP3.12
Rot. Bonds2

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

1,1,1,3,3,3-hexafluoro-2-methoxy-2-methylpropane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol (PubChem CID 169255888) has the molecular formula C13H21F6NO2 and a molecular weight of 337.30 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-methoxy-2-methylpropane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-methoxy-2-methylpropane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol
PubChem CID169255888
Molecular FormulaC13H21F6NO2
Molecular Weight337.30 g/mol
Exact Mass337.15
IUPAC Name1,1,1,3,3,3-hexafluoro-2-methoxy-2-methylpropane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol
SMILESCOC(C)(C(F)(F)F)C(F)(F)F.OCC12CCCN1CCC2
InChIInChI=1S/C8H15NO.C5H6F6O/c10-7-8-3-1-5-9(8)6-2-4-8;1-3(12-2,4(6,7)8)5(9,10)11/h10H,1-7H2;1-2H3
InChIKeyQFGAYFVMVNALHM-UHFFFAOYSA-N
XLogP3.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1,1,3,3,3-hexafluoro-2-methoxy-2-methylpropane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-methoxy-2-methylpropane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-methoxy-2-methylpropane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol (CID 169255888) is 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 1,1,1,3,3,3-hexafluoro-2-methoxy-2-methylpropane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-methoxy-2-methylpropane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol is COC(C)(C(F)(F)F)C(F)(F)F.OCC12CCCN1CCC2.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-methoxy-2-methylpropane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol?
The InChIKey is QFGAYFVMVNALHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C5H6F6O/c10-7-8-3-1-5-9(8)6-2-4-8;1-3(12-2,4(6,7)8)5(9,10)11/h10H,1-7H2;1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-methoxy-2-methylpropane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol?
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 337.30 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 169255888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).