(2'S,6S,8R)-3,3-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2'-fluorospiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane]

C13H22FN — CID 176776511

IUPAC(2'S,6S,8R)-3,3-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2'-fluorospiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane]
SMILES[2H]C1([2H])CC[C@@]2(C([2H])([2H])C(C)C)C[C@]3(C[C@@H]3F)CN12
InChIInChI=1S/C13H22FN/c1-10(2)6-13-4-3-5-15(13)9-12(8-13)7-11(12)14/h10-11H,3-9H2,1-2H3/t11-,12+,13+/m0/s1/i5D2,6D2
InChIKeyNJJVZUUEJUTDMG-ZNNYIWHPSA-N
MW215.35 g/mol
LogP3.00
Rot. Bonds2

About (2'S,6S,8R)-3,3-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2'-fluorospiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane]

(2'S,6S,8R)-3,3-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2'-fluorospiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane] (PubChem CID 176776511) has the molecular formula C13H22FN and a molecular weight of 215.35 g/mol. Its IUPAC name is (2'S,6S,8R)-3,3-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2'-fluorospiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane].

Molecular Properties

Compound Name(2'S,6S,8R)-3,3-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2'-fluorospiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane]
PubChem CID176776511
Molecular FormulaC13H22FN
Molecular Weight215.35 g/mol
Exact Mass215.20
IUPAC Name(2'S,6S,8R)-3,3-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2'-fluorospiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane]
SMILES[2H]C1([2H])CC[C@@]2(C([2H])([2H])C(C)C)C[C@]3(C[C@@H]3F)CN12
InChIInChI=1S/C13H22FN/c1-10(2)6-13-4-3-5-15(13)9-12(8-13)7-11(12)14/h10-11H,3-9H2,1-2H3/t11-,12+,13+/m0/s1/i5D2,6D2
InChIKeyNJJVZUUEJUTDMG-ZNNYIWHPSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.35
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2'S,6S,8R)-3,3-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2'-fluorospiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2'S,6S,8R)-3,3-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2'-fluorospiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane]?
The IUPAC name of (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) is (2'S,6S,8R)-3,3-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2'-fluorospiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane].
What is the SMILES notation for (2'S,6S,8R)-3,3-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2'-fluorospiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane]?
The canonical SMILES for (2'S,6S,8R)-3,3-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2'-fluorospiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane] is [2H]C1([2H])CC[C@@]2(C([2H])([2H])C(C)C)C[C@]3(C[C@@H]3F)CN12.
What is the InChIKey of (2'S,6S,8R)-3,3-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2'-fluorospiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane]?
The InChIKey is NJJVZUUEJUTDMG-ZNNYIWHPSA-N. The full InChI is InChI=1S/C13H22FN/c1-10(2)6-13-4-3-5-15(13)9-12(8-13)7-11(12)14/h10-11H,3-9H2,1-2H3/t11-,12+,13+/m0/s1/i5D2,6D2.
What are the key properties of (2'S,6S,8R)-3,3-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2'-fluorospiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane]?
(2'S,6S,8R)-3,3-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2'-fluorospiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane] has a molecular weight of 215.35 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,6S,8R)-3,3-dideuterio-8-(1,1-dideuterio-2-methylpropyl)-2'-fluorospiro[1,2,5,7-tetrahydropyrrolizine-6,1'-cyclopropane] is sourced from PubChem (CID 176776511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).