(1S,2R,6R,8R)-7,7-difluoro-1,2-dihydroxy-6-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one

C8H11F2NO3 — CID 71505447

IUPAC(1S,2R,6R,8R)-7,7-difluoro-1,2-dihydroxy-6-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
SMILESC[C@@H]1CN2C(=O)[C@H](O)[C@@H](O)[C@@H]2C1(F)F
InChIInChI=1S/C8H11F2NO3/c1-3-2-11-6(8(3,9)10)4(12)5(13)7(11)14/h3-6,12-13H,2H2,1H3/t3-,4-,5-,6-/m1/s1
InChIKeyFNWUFFFKIURNEQ-KVTDHHQDSA-N
MW207.18 g/mol
LogP-0.80
Rot. Bonds

About (1S,2R,6R,8R)-7,7-difluoro-1,2-dihydroxy-6-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one

(1S,2R,6R,8R)-7,7-difluoro-1,2-dihydroxy-6-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 71505447) has the molecular formula C8H11F2NO3 and a molecular weight of 207.18 g/mol. Its IUPAC name is (1S,2R,6R,8R)-7,7-difluoro-1,2-dihydroxy-6-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name(1S,2R,6R,8R)-7,7-difluoro-1,2-dihydroxy-6-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
PubChem CID71505447
Molecular FormulaC8H11F2NO3
Molecular Weight207.18 g/mol
Exact Mass207.07
IUPAC Name(1S,2R,6R,8R)-7,7-difluoro-1,2-dihydroxy-6-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
SMILESC[C@@H]1CN2C(=O)[C@H](O)[C@@H](O)[C@@H]2C1(F)F
InChIInChI=1S/C8H11F2NO3/c1-3-2-11-6(8(3,9)10)4(12)5(13)7(11)14/h3-6,12-13H,2H2,1H3/t3-,4-,5-,6-/m1/s1
InChIKeyFNWUFFFKIURNEQ-KVTDHHQDSA-N
XLogP-0.80
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dihydroxy-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 44406622
1,2-Dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 44406623
(1R,2S)-1,2-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 101844101
(8S)-1-hydroxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 134855970
(1S,2R)-1-hydroxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 135036655
(1S,2R,6R,8R)-1-[tert-butyl(dimethyl)silyl]oxy-7,7-difluoro-2-hydroxy-6-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
CID 71505446
(1R,2S,8S)-1-hydroxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10329490
(1S,2R,8S)-1,2-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10583038
(1R,2R,7aS)-1-Hydroxy-2-methylhexahydro-3H-pyrrolizin-3-one
CID 15704323
(1R,2S,8S)-1,2-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 21573873
(1S,2S,8S)-1,2-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 21573879
(1R,2R,8S)-1,2-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 21573880

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R,8R)-7,7-difluoro-1,2-dihydroxy-6-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of (1S,2R,6R,8R)-7,7-difluoro-1,2-dihydroxy-6-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one (CID 71505447) is (1S,2R,6R,8R)-7,7-difluoro-1,2-dihydroxy-6-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for (1S,2R,6R,8R)-7,7-difluoro-1,2-dihydroxy-6-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for (1S,2R,6R,8R)-7,7-difluoro-1,2-dihydroxy-6-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one is C[C@@H]1CN2C(=O)[C@H](O)[C@@H](O)[C@@H]2C1(F)F.
What is the InChIKey of (1S,2R,6R,8R)-7,7-difluoro-1,2-dihydroxy-6-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is FNWUFFFKIURNEQ-KVTDHHQDSA-N. The full InChI is InChI=1S/C8H11F2NO3/c1-3-2-11-6(8(3,9)10)4(12)5(13)7(11)14/h3-6,12-13H,2H2,1H3/t3-,4-,5-,6-/m1/s1.
What are the key properties of (1S,2R,6R,8R)-7,7-difluoro-1,2-dihydroxy-6-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one?
(1S,2R,6R,8R)-7,7-difluoro-1,2-dihydroxy-6-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 207.18 g/mol, XLogP of -0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6R,8R)-7,7-difluoro-1,2-dihydroxy-6-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 71505447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).