(2R,8R)-2-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

C11H20FNO — CID 164903974

IUPAC(2R,8R)-2-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)OC[C@]12CCCN1C[C@H](F)C2
InChIInChI=1S/C11H20FNO/c1-9(2)14-8-11-4-3-5-13(11)7-10(12)6-11/h9-10H,3-8H2,1-2H3/t10-,11-/m1/s1
InChIKeyPIHQYBFHKDGWNV-GHMZBOCLSA-N
MW201.28 g/mol
LogP1.99
Rot. Bonds3

About (2R,8R)-2-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

(2R,8R)-2-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 164903974) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is (2R,8R)-2-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name(2R,8R)-2-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID164903974
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name(2R,8R)-2-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)OC[C@]12CCCN1C[C@H](F)C2
InChIInChI=1S/C11H20FNO/c1-9(2)14-8-11-4-3-5-13(11)7-10(12)6-11/h9-10H,3-8H2,1-2H3/t10-,11-/m1/s1
InChIKeyPIHQYBFHKDGWNV-GHMZBOCLSA-N
XLogP1.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,8R)-2-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of (2R,8R)-2-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 164903974) is (2R,8R)-2-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for (2R,8R)-2-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for (2R,8R)-2-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is CC(C)OC[C@]12CCCN1C[C@H](F)C2.
What is the InChIKey of (2R,8R)-2-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is PIHQYBFHKDGWNV-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H20FNO/c1-9(2)14-8-11-4-3-5-13(11)7-10(12)6-11/h9-10H,3-8H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (2R,8R)-2-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
(2R,8R)-2-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 201.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8R)-2-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 164903974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).