dideuterio-[(6R,8S)-3,3,6-trideuterio-6-fluoro-1,2,5,7-tetrahydropyrrolizin-8-yl]methanol

C8H14FNO — CID 168864418

IUPACdideuterio-[(6R,8S)-3,3,6-trideuterio-6-fluoro-1,2,5,7-tetrahydropyrrolizin-8-yl]methanol
SMILES[2H]C1([2H])CC[C@@]2(C([2H])([2H])O)C[C@@]([2H])(F)CN12
InChIInChI=1S/C8H14FNO/c9-7-4-8(6-11)2-1-3-10(8)5-7/h7,11H,1-6H2/t7-,8+/m1/s1/i3D2,6D2,7D
InChIKeyQAJRFPVPHUYVFE-XUNLFDKNSA-N
MW164.23 g/mol
LogP0.56
Rot. Bonds1

About dideuterio-[(6R,8S)-3,3,6-trideuterio-6-fluoro-1,2,5,7-tetrahydropyrrolizin-8-yl]methanol

dideuterio-[(6R,8S)-3,3,6-trideuterio-6-fluoro-1,2,5,7-tetrahydropyrrolizin-8-yl]methanol (PubChem CID 168864418) has the molecular formula C8H14FNO and a molecular weight of 164.23 g/mol. Its IUPAC name is dideuterio-[(6R,8S)-3,3,6-trideuterio-6-fluoro-1,2,5,7-tetrahydropyrrolizin-8-yl]methanol.

Molecular Properties

Compound Namedideuterio-[(6R,8S)-3,3,6-trideuterio-6-fluoro-1,2,5,7-tetrahydropyrrolizin-8-yl]methanol
PubChem CID168864418
Molecular FormulaC8H14FNO
Molecular Weight164.23 g/mol
Exact Mass164.14
IUPAC Namedideuterio-[(6R,8S)-3,3,6-trideuterio-6-fluoro-1,2,5,7-tetrahydropyrrolizin-8-yl]methanol
SMILES[2H]C1([2H])CC[C@@]2(C([2H])([2H])O)C[C@@]([2H])(F)CN12
InChIInChI=1S/C8H14FNO/c9-7-4-8(6-11)2-1-3-10(8)5-7/h7,11H,1-6H2/t7-,8+/m1/s1/i3D2,6D2,7D
InChIKeyQAJRFPVPHUYVFE-XUNLFDKNSA-N
XLogP0.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dideuterio-[(6R,8S)-3,3,6-trideuterio-6-fluoro-1,2,5,7-tetrahydropyrrolizin-8-yl]methanol?
The IUPAC name of dideuterio-[(6R,8S)-3,3,6-trideuterio-6-fluoro-1,2,5,7-tetrahydropyrrolizin-8-yl]methanol (CID 168864418) is dideuterio-[(6R,8S)-3,3,6-trideuterio-6-fluoro-1,2,5,7-tetrahydropyrrolizin-8-yl]methanol.
What is the SMILES notation for dideuterio-[(6R,8S)-3,3,6-trideuterio-6-fluoro-1,2,5,7-tetrahydropyrrolizin-8-yl]methanol?
The canonical SMILES for dideuterio-[(6R,8S)-3,3,6-trideuterio-6-fluoro-1,2,5,7-tetrahydropyrrolizin-8-yl]methanol is [2H]C1([2H])CC[C@@]2(C([2H])([2H])O)C[C@@]([2H])(F)CN12.
What is the InChIKey of dideuterio-[(6R,8S)-3,3,6-trideuterio-6-fluoro-1,2,5,7-tetrahydropyrrolizin-8-yl]methanol?
The InChIKey is QAJRFPVPHUYVFE-XUNLFDKNSA-N. The full InChI is InChI=1S/C8H14FNO/c9-7-4-8(6-11)2-1-3-10(8)5-7/h7,11H,1-6H2/t7-,8+/m1/s1/i3D2,6D2,7D.
What are the key properties of dideuterio-[(6R,8S)-3,3,6-trideuterio-6-fluoro-1,2,5,7-tetrahydropyrrolizin-8-yl]methanol?
dideuterio-[(6R,8S)-3,3,6-trideuterio-6-fluoro-1,2,5,7-tetrahydropyrrolizin-8-yl]methanol has a molecular weight of 164.23 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dideuterio-[(6R,8S)-3,3,6-trideuterio-6-fluoro-1,2,5,7-tetrahydropyrrolizin-8-yl]methanol is sourced from PubChem (CID 168864418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).