(6R,8S)-6-fluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-ol

C11H20FNO — CID 176776789

IUPAC(6R,8S)-6-fluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-ol
SMILESCC(C)C[C@@]12CC(O)CN1C[C@H](F)C2
InChIInChI=1S/C11H20FNO/c1-8(2)3-11-4-9(12)6-13(11)7-10(14)5-11/h8-10,14H,3-7H2,1-2H3/t9-,10?,11-/m1/s1
InChIKeyJYBPWYAHALLNAN-GLYLRITDSA-N
MW201.28 g/mol
LogP1.58
Rot. Bonds2

About (6R,8S)-6-fluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-ol

(6R,8S)-6-fluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-ol (PubChem CID 176776789) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is (6R,8S)-6-fluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-ol.

Molecular Properties

Compound Name(6R,8S)-6-fluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-ol
PubChem CID176776789
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name(6R,8S)-6-fluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-ol
SMILESCC(C)C[C@@]12CC(O)CN1C[C@H](F)C2
InChIInChI=1S/C11H20FNO/c1-8(2)3-11-4-9(12)6-13(11)7-10(14)5-11/h8-10,14H,3-7H2,1-2H3/t9-,10?,11-/m1/s1
InChIKeyJYBPWYAHALLNAN-GLYLRITDSA-N
XLogP1.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R,8S)-6-fluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-ol?
The IUPAC name of (6R,8S)-6-fluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-ol (CID 176776789) is (6R,8S)-6-fluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-ol.
What is the SMILES notation for (6R,8S)-6-fluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-ol?
The canonical SMILES for (6R,8S)-6-fluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-ol is CC(C)C[C@@]12CC(O)CN1C[C@H](F)C2.
What is the InChIKey of (6R,8S)-6-fluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-ol?
The InChIKey is JYBPWYAHALLNAN-GLYLRITDSA-N. The full InChI is InChI=1S/C11H20FNO/c1-8(2)3-11-4-9(12)6-13(11)7-10(14)5-11/h8-10,14H,3-7H2,1-2H3/t9-,10?,11-/m1/s1.
What are the key properties of (6R,8S)-6-fluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-ol?
(6R,8S)-6-fluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-ol has a molecular weight of 201.28 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8S)-6-fluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-ol is sourced from PubChem (CID 176776789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).