dideuterio-[(2S,8R)-5,5-dideuterio-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl]methanol

C8H14FNO — CID 168864414

IUPACdideuterio-[(2S,8R)-5,5-dideuterio-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
SMILES[2H]C1([2H])CC[C@]2(C([2H])([2H])O)C[C@H](F)CN12
InChIInChI=1S/C8H14FNO/c9-7-4-8(6-11)2-1-3-10(8)5-7/h7,11H,1-6H2/t7-,8+/m0/s1/i3D2,6D2
InChIKeyQAJRFPVPHUYVFE-WRFYNHMWSA-N
MW163.23 g/mol
LogP0.56
Rot. Bonds1

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

dideuterio-[(2S,8R)-5,5-dideuterio-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl]methanol (PubChem CID 168864414) has the molecular formula C8H14FNO and a molecular weight of 163.23 g/mol. Its IUPAC name is dideuterio-[(2S,8R)-5,5-dideuterio-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl]methanol.

Molecular Properties

Compound Namedideuterio-[(2S,8R)-5,5-dideuterio-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
PubChem CID168864414
Molecular FormulaC8H14FNO
Molecular Weight163.23 g/mol
Exact Mass163.13
IUPAC Namedideuterio-[(2S,8R)-5,5-dideuterio-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
SMILES[2H]C1([2H])CC[C@]2(C([2H])([2H])O)C[C@H](F)CN12
InChIInChI=1S/C8H14FNO/c9-7-4-8(6-11)2-1-3-10(8)5-7/h7,11H,1-6H2/t7-,8+/m0/s1/i3D2,6D2
InChIKeyQAJRFPVPHUYVFE-WRFYNHMWSA-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 ≤ 500163.23
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze dideuterio-[(2S,8R)-5,5-dideuterio-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl]methanol with MolForge

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Related Compounds

dideuterio-[(6R,8S)-3,3,6-trideuterio-6-fluoro-1,2,5,7-tetrahydropyrrolizin-8-yl]methanol
CID 168864418
(2R,8R)-5,5-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizine
CID 176776126
[(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 118109098
benzene;[(2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;fluoromethane
CID 177213305
ethane;[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethanol
CID 170771438
[(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
CID 118109110
(2R,8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 163256465
O-[[(2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl]hydroxylamine
CID 176690420
(2S,8R)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164878427
(2R,8R)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164903949
ethane;(2R,8S)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 177010029
[(6R,8aS)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol
CID 175977713

Frequently Asked Questions

What is the IUPAC name of dideuterio-[(2S,8R)-5,5-dideuterio-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl]methanol?
The IUPAC name of dideuterio-[(2S,8R)-5,5-dideuterio-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl]methanol (CID 168864414) is dideuterio-[(2S,8R)-5,5-dideuterio-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl]methanol.
What is the SMILES notation for dideuterio-[(2S,8R)-5,5-dideuterio-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl]methanol?
The canonical SMILES for dideuterio-[(2S,8R)-5,5-dideuterio-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl]methanol is [2H]C1([2H])CC[C@]2(C([2H])([2H])O)C[C@H](F)CN12.
What is the InChIKey of dideuterio-[(2S,8R)-5,5-dideuterio-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl]methanol?
The InChIKey is QAJRFPVPHUYVFE-WRFYNHMWSA-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+/m0/s1/i3D2,6D2.
What are the key properties of dideuterio-[(2S,8R)-5,5-dideuterio-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl]methanol?
dideuterio-[(2S,8R)-5,5-dideuterio-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl]methanol has a molecular weight of 163.23 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-[(2S,8R)-5,5-dideuterio-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl]methanol is sourced from PubChem (CID 168864414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).