(6R,8S)-7,7-difluoro-8-hydroxy-6-methyl-1,2,5,6-tetrahydropyrrolizin-3-one

C8H11F2NO2 — CID 42645657

IUPAC(6R,8S)-7,7-difluoro-8-hydroxy-6-methyl-1,2,5,6-tetrahydropyrrolizin-3-one
SMILESC[C@@H]1CN2C(=O)CC[C@]2(O)C1(F)F
InChIInChI=1S/C8H11F2NO2/c1-5-4-11-6(12)2-3-7(11,13)8(5,9)10/h5,13H,2-4H2,1H3/t5-,7+/m1/s1
InChIKeyDFGWCPXGZHDRQF-VDTYLAMSSA-N
MW191.18 g/mol
LogP0.58
Rot. Bonds

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

(6R,8S)-7,7-difluoro-8-hydroxy-6-methyl-1,2,5,6-tetrahydropyrrolizin-3-one (PubChem CID 42645657) has the molecular formula C8H11F2NO2 and a molecular weight of 191.18 g/mol. Its IUPAC name is (6R,8S)-7,7-difluoro-8-hydroxy-6-methyl-1,2,5,6-tetrahydropyrrolizin-3-one.

Molecular Properties

Compound Name(6R,8S)-7,7-difluoro-8-hydroxy-6-methyl-1,2,5,6-tetrahydropyrrolizin-3-one
PubChem CID42645657
Molecular FormulaC8H11F2NO2
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name(6R,8S)-7,7-difluoro-8-hydroxy-6-methyl-1,2,5,6-tetrahydropyrrolizin-3-one
SMILESC[C@@H]1CN2C(=O)CC[C@]2(O)C1(F)F
InChIInChI=1S/C8H11F2NO2/c1-5-4-11-6(12)2-3-7(11,13)8(5,9)10/h5,13H,2-4H2,1H3/t5-,7+/m1/s1
InChIKeyDFGWCPXGZHDRQF-VDTYLAMSSA-N
XLogP0.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6R,8S)-7,7-difluoro-8-hydroxy-6-methyl-1,2,5,6-tetrahydropyrrolizin-3-one with MolForge

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Related Compounds

(8S,8aS)-8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 101002230
1,4-dimethyl-3,3-bis(methylsulfanyl)pyrrolidin-2-one
CID 134297864
1-ethyl-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid
CID 118109399
1-hydroxy-5,5,6-trimethylpiperidin-2-one
CID 102314658
2,2-difluoro-1-methylspiro[2.5]octan-6-one
CID 126845220
7a-methyl-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one
CID 3159946
(7aR)-7a-methyl-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-1-ium-5-one
CID 6966193
6-deuterio-8-[dideuterio(hydroxy)methyl]-6-fluoro-1,2,5,7-tetrahydropyrrolizin-3-one
CID 172732469
3-(difluoromethylidene)-1,1,2,2-tetrafluoro-5-methylcyclopentane
CID 87070308
8a-hydroxy-2,6,7,8-tetrahydro-1H-indolizine-3,5-dione
CID 11030246
ethyl (2R,8R)-2-methoxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 170367901
(3R)-3-hydroxy-1,4-dimethyl-3-propan-2-ylpyrrolidin-2-one
CID 155363840

Frequently Asked Questions

What is the IUPAC name of (6R,8S)-7,7-difluoro-8-hydroxy-6-methyl-1,2,5,6-tetrahydropyrrolizin-3-one?
The IUPAC name of (6R,8S)-7,7-difluoro-8-hydroxy-6-methyl-1,2,5,6-tetrahydropyrrolizin-3-one (CID 42645657) is (6R,8S)-7,7-difluoro-8-hydroxy-6-methyl-1,2,5,6-tetrahydropyrrolizin-3-one.
What is the SMILES notation for (6R,8S)-7,7-difluoro-8-hydroxy-6-methyl-1,2,5,6-tetrahydropyrrolizin-3-one?
The canonical SMILES for (6R,8S)-7,7-difluoro-8-hydroxy-6-methyl-1,2,5,6-tetrahydropyrrolizin-3-one is C[C@@H]1CN2C(=O)CC[C@]2(O)C1(F)F.
What is the InChIKey of (6R,8S)-7,7-difluoro-8-hydroxy-6-methyl-1,2,5,6-tetrahydropyrrolizin-3-one?
The InChIKey is DFGWCPXGZHDRQF-VDTYLAMSSA-N. The full InChI is InChI=1S/C8H11F2NO2/c1-5-4-11-6(12)2-3-7(11,13)8(5,9)10/h5,13H,2-4H2,1H3/t5-,7+/m1/s1.
What are the key properties of (6R,8S)-7,7-difluoro-8-hydroxy-6-methyl-1,2,5,6-tetrahydropyrrolizin-3-one?
(6R,8S)-7,7-difluoro-8-hydroxy-6-methyl-1,2,5,6-tetrahydropyrrolizin-3-one has a molecular weight of 191.18 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8S)-7,7-difluoro-8-hydroxy-6-methyl-1,2,5,6-tetrahydropyrrolizin-3-one is sourced from PubChem (CID 42645657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).