(2R,8R)-5,5-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizine

C11H20FN — CID 176776126

IUPAC(2R,8R)-5,5-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizine
SMILES[2H]C1([2H])CC[C@@]2(C([2H])([2H])C(C)C)C[C@@H](F)CN12
InChIInChI=1S/C11H20FN/c1-9(2)6-11-4-3-5-13(11)8-10(12)7-11/h9-10H,3-8H2,1-2H3/t10-,11-/m1/s1/i5D2,6D2
InChIKeyYDXPWRMIHUPXCY-XLGMKMEFSA-N
MW189.31 g/mol
LogP2.61
Rot. Bonds2

About (2R,8R)-5,5-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizine

(2R,8R)-5,5-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizine (PubChem CID 176776126) has the molecular formula C11H20FN and a molecular weight of 189.31 g/mol. Its IUPAC name is (2R,8R)-5,5-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(2R,8R)-5,5-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizine
PubChem CID176776126
Molecular FormulaC11H20FN
Molecular Weight189.31 g/mol
Exact Mass189.18
IUPAC Name(2R,8R)-5,5-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizine
SMILES[2H]C1([2H])CC[C@@]2(C([2H])([2H])C(C)C)C[C@@H](F)CN12
InChIInChI=1S/C11H20FN/c1-9(2)6-11-4-3-5-13(11)8-10(12)7-11/h9-10H,3-8H2,1-2H3/t10-,11-/m1/s1/i5D2,6D2
InChIKeyYDXPWRMIHUPXCY-XLGMKMEFSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

dideuterio-[(2S,8R)-5,5-dideuterio-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 168864414
(2'S,6S,8R)-3,3-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2'-fluorospiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane]
CID 176776511
(6S,8R)-3,3-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-1',1'-difluorospiro[1,2,5,7-tetrahydropyrrolizine-6,2'-cyclopropane]
CID 176776468
(2R,6R)-2,6-difluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 176776231
dideuterio-[(6R,8S)-3,3,6-trideuterio-6-fluoro-1,2,5,7-tetrahydropyrrolizin-8-yl]methanol
CID 168864418
(2R,8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 163256465
[(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
CID 118109110
(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
[(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 118109098
ethane;(2R,8S)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 177010029
benzene;[(2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;fluoromethane
CID 177213305

Frequently Asked Questions

What is the IUPAC name of (2R,8R)-5,5-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of (2R,8R)-5,5-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizine (CID 176776126) is (2R,8R)-5,5-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for (2R,8R)-5,5-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for (2R,8R)-5,5-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizine is [2H]C1([2H])CC[C@@]2(C([2H])([2H])C(C)C)C[C@@H](F)CN12.
What is the InChIKey of (2R,8R)-5,5-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizine?
The InChIKey is YDXPWRMIHUPXCY-XLGMKMEFSA-N. The full InChI is InChI=1S/C11H20FN/c1-9(2)6-11-4-3-5-13(11)8-10(12)7-11/h9-10H,3-8H2,1-2H3/t10-,11-/m1/s1/i5D2,6D2.
What are the key properties of (2R,8R)-5,5-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizine?
(2R,8R)-5,5-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizine has a molecular weight of 189.31 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8R)-5,5-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 176776126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).