[(3S,8S)-3-(2,2,2-trifluoroethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrochloride

C11H19ClF3NO2 — CID 169315060

IUPAC[(3S,8S)-3-(2,2,2-trifluoroethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrochloride
SMILESCl.OC[C@@]12CCCN1[C@H](COCC(F)(F)F)CC2
InChIInChI=1S/C11H18F3NO2.ClH/c12-11(13,14)8-17-6-9-2-4-10(7-16)3-1-5-15(9)10;/h9,16H,1-8H2;1H/t9-,10-;/m0./s1
InChIKeyNZFXNMCLTPUBAQ-IYPAPVHQSA-N
MW289.73 g/mol
LogP1.98
Rot. Bonds4

About [(3S,8S)-3-(2,2,2-trifluoroethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrochloride

[(3S,8S)-3-(2,2,2-trifluoroethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrochloride (PubChem CID 169315060) has the molecular formula C11H19ClF3NO2 and a molecular weight of 289.73 g/mol. Its IUPAC name is [(3S,8S)-3-(2,2,2-trifluoroethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(3S,8S)-3-(2,2,2-trifluoroethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrochloride
PubChem CID169315060
Molecular FormulaC11H19ClF3NO2
Molecular Weight289.73 g/mol
Exact Mass289.11
IUPAC Name[(3S,8S)-3-(2,2,2-trifluoroethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrochloride
SMILESCl.OC[C@@]12CCCN1[C@H](COCC(F)(F)F)CC2
InChIInChI=1S/C11H18F3NO2.ClH/c12-11(13,14)8-17-6-9-2-4-10(7-16)3-1-5-15(9)10;/h9,16H,1-8H2;1H/t9-,10-;/m0./s1
InChIKeyNZFXNMCLTPUBAQ-IYPAPVHQSA-N
XLogP1.98
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3S,8S)-3-(2,2,2-trifluoroethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrochloride 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 [(3S,8S)-3-(2,2,2-trifluoroethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrochloride?
The IUPAC name of [(3S,8S)-3-(2,2,2-trifluoroethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrochloride (CID 169315060) is [(3S,8S)-3-(2,2,2-trifluoroethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrochloride.
What is the SMILES notation for [(3S,8S)-3-(2,2,2-trifluoroethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrochloride?
The canonical SMILES for [(3S,8S)-3-(2,2,2-trifluoroethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrochloride is Cl.OC[C@@]12CCCN1[C@H](COCC(F)(F)F)CC2.
What is the InChIKey of [(3S,8S)-3-(2,2,2-trifluoroethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrochloride?
The InChIKey is NZFXNMCLTPUBAQ-IYPAPVHQSA-N. The full InChI is InChI=1S/C11H18F3NO2.ClH/c12-11(13,14)8-17-6-9-2-4-10(7-16)3-1-5-15(9)10;/h9,16H,1-8H2;1H/t9-,10-;/m0./s1.
What are the key properties of [(3S,8S)-3-(2,2,2-trifluoroethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrochloride?
[(3S,8S)-3-(2,2,2-trifluoroethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrochloride has a molecular weight of 289.73 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,8S)-3-(2,2,2-trifluoroethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrochloride is sourced from PubChem (CID 169315060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).