(8R)-6,6-difluoro-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one

C8H11F2NO2 — CID 170904681

IUPAC(8R)-6,6-difluoro-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one
SMILESO=C1CC[C@]2(CO)CC(F)(F)CN12
InChIInChI=1S/C8H11F2NO2/c9-8(10)3-7(5-12)2-1-6(13)11(7)4-8/h12H,1-5H2/t7-/m1/s1
InChIKeyBKXGCTXBBPTXIW-SSDOTTSWSA-N
MW191.18 g/mol
LogP0.38
Rot. Bonds1

About (8R)-6,6-difluoro-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one

(8R)-6,6-difluoro-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one (PubChem CID 170904681) has the molecular formula C8H11F2NO2 and a molecular weight of 191.18 g/mol. Its IUPAC name is (8R)-6,6-difluoro-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one.

Molecular Properties

Compound Name(8R)-6,6-difluoro-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one
PubChem CID170904681
Molecular FormulaC8H11F2NO2
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name(8R)-6,6-difluoro-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one
SMILESO=C1CC[C@]2(CO)CC(F)(F)CN12
InChIInChI=1S/C8H11F2NO2/c9-8(10)3-7(5-12)2-1-6(13)11(7)4-8/h12H,1-5H2/t7-/m1/s1
InChIKeyBKXGCTXBBPTXIW-SSDOTTSWSA-N
XLogP0.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8R)-6,6-difluoro-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one?
The IUPAC name of (8R)-6,6-difluoro-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one (CID 170904681) is (8R)-6,6-difluoro-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one.
What is the SMILES notation for (8R)-6,6-difluoro-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one?
The canonical SMILES for (8R)-6,6-difluoro-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one is O=C1CC[C@]2(CO)CC(F)(F)CN12.
What is the InChIKey of (8R)-6,6-difluoro-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one?
The InChIKey is BKXGCTXBBPTXIW-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11F2NO2/c9-8(10)3-7(5-12)2-1-6(13)11(7)4-8/h12H,1-5H2/t7-/m1/s1.
What are the key properties of (8R)-6,6-difluoro-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one?
(8R)-6,6-difluoro-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one has a molecular weight of 191.18 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-6,6-difluoro-8-(hydroxymethyl)-1,2,5,7-tetrahydropyrrolizin-3-one is sourced from PubChem (CID 170904681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).