[(2S,8R)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol

C9H14F3NO2 — CID 169315641

IUPAC[(2S,8R)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
SMILESOC[C@]12CCCN1C[C@@H](OC(F)(F)F)C2
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)15-7-4-8(6-14)2-1-3-13(8)5-7/h7,14H,1-6H2/t7-,8+/m0/s1
InChIKeyKQTKRJOHEQAXRV-JGVFFNPUSA-N
MW225.21 g/mol
LogP1.12
Rot. Bonds2

About [(2S,8R)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol

[(2S,8R)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol (PubChem CID 169315641) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is [(2S,8R)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol.

Molecular Properties

Compound Name[(2S,8R)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
PubChem CID169315641
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name[(2S,8R)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
SMILESOC[C@]12CCCN1C[C@@H](OC(F)(F)F)C2
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)15-7-4-8(6-14)2-1-3-13(8)5-7/h7,14H,1-6H2/t7-,8+/m0/s1
InChIKeyKQTKRJOHEQAXRV-JGVFFNPUSA-N
XLogP1.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S,8R)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol 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 [(2S,8R)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The IUPAC name of [(2S,8R)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol (CID 169315641) is [(2S,8R)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol.
What is the SMILES notation for [(2S,8R)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The canonical SMILES for [(2S,8R)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol is OC[C@]12CCCN1C[C@@H](OC(F)(F)F)C2.
What is the InChIKey of [(2S,8R)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The InChIKey is KQTKRJOHEQAXRV-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)15-7-4-8(6-14)2-1-3-13(8)5-7/h7,14H,1-6H2/t7-,8+/m0/s1.
What are the key properties of [(2S,8R)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
[(2S,8R)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol has a molecular weight of 225.21 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,8R)-2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol is sourced from PubChem (CID 169315641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).