7,7,8,8-tetrafluoro-8a-hydroxy-6-methyl-1,2,5,6-tetrahydroindolizin-3-one

C9H11F4NO2 — CID 135019632

IUPAC7,7,8,8-tetrafluoro-8a-hydroxy-6-methyl-1,2,5,6-tetrahydroindolizin-3-one
SMILESCC1CN2C(=O)CCC2(O)C(F)(F)C1(F)F
InChIInChI=1S/C9H11F4NO2/c1-5-4-14-6(15)2-3-7(14,16)9(12,13)8(5,10)11/h5,16H,2-4H2,1H3
InChIKeyNKOKMLIKQWNCFB-UHFFFAOYSA-N
MW241.18 g/mol
LogP1.22
Rot. Bonds

About 7,7,8,8-tetrafluoro-8a-hydroxy-6-methyl-1,2,5,6-tetrahydroindolizin-3-one

7,7,8,8-tetrafluoro-8a-hydroxy-6-methyl-1,2,5,6-tetrahydroindolizin-3-one (PubChem CID 135019632) has the molecular formula C9H11F4NO2 and a molecular weight of 241.18 g/mol. Its IUPAC name is 7,7,8,8-tetrafluoro-8a-hydroxy-6-methyl-1,2,5,6-tetrahydroindolizin-3-one.

Molecular Properties

Compound Name7,7,8,8-tetrafluoro-8a-hydroxy-6-methyl-1,2,5,6-tetrahydroindolizin-3-one
PubChem CID135019632
Molecular FormulaC9H11F4NO2
Molecular Weight241.18 g/mol
Exact Mass241.07
IUPAC Name7,7,8,8-tetrafluoro-8a-hydroxy-6-methyl-1,2,5,6-tetrahydroindolizin-3-one
SMILESCC1CN2C(=O)CCC2(O)C(F)(F)C1(F)F
InChIInChI=1S/C9H11F4NO2/c1-5-4-14-6(15)2-3-7(14,16)9(12,13)8(5,10)11/h5,16H,2-4H2,1H3
InChIKeyNKOKMLIKQWNCFB-UHFFFAOYSA-N
XLogP1.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.18
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 7,7,8,8-tetrafluoro-8a-hydroxy-6-methyl-1,2,5,6-tetrahydroindolizin-3-one with MolForge

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Related Compounds

(6aR,10aS)-1,1,2,2-tetrafluoro-10b-hydroxy-3-methyl-3,4,6a,7,8,9,10,10a-octahydropyrido[2,1-a]isoindol-6-one
CID 135019765
(8R,8aR)-8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 101002229
(7R,8aS)-8,8-difluoro-8a-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-indolizin-3-one
CID 42645428
8a-hydroxy-8-methylhexahydro-3(2H)-indolizinone
CID 10855904
(8S,8aS)-8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 101002230
8a-Hydroxy-8-(2-oxopropyl)-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 102439849

Frequently Asked Questions

What is the IUPAC name of 7,7,8,8-tetrafluoro-8a-hydroxy-6-methyl-1,2,5,6-tetrahydroindolizin-3-one?
The IUPAC name of 7,7,8,8-tetrafluoro-8a-hydroxy-6-methyl-1,2,5,6-tetrahydroindolizin-3-one (CID 135019632) is 7,7,8,8-tetrafluoro-8a-hydroxy-6-methyl-1,2,5,6-tetrahydroindolizin-3-one.
What is the SMILES notation for 7,7,8,8-tetrafluoro-8a-hydroxy-6-methyl-1,2,5,6-tetrahydroindolizin-3-one?
The canonical SMILES for 7,7,8,8-tetrafluoro-8a-hydroxy-6-methyl-1,2,5,6-tetrahydroindolizin-3-one is CC1CN2C(=O)CCC2(O)C(F)(F)C1(F)F.
What is the InChIKey of 7,7,8,8-tetrafluoro-8a-hydroxy-6-methyl-1,2,5,6-tetrahydroindolizin-3-one?
The InChIKey is NKOKMLIKQWNCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F4NO2/c1-5-4-14-6(15)2-3-7(14,16)9(12,13)8(5,10)11/h5,16H,2-4H2,1H3.
What are the key properties of 7,7,8,8-tetrafluoro-8a-hydroxy-6-methyl-1,2,5,6-tetrahydroindolizin-3-one?
7,7,8,8-tetrafluoro-8a-hydroxy-6-methyl-1,2,5,6-tetrahydroindolizin-3-one has a molecular weight of 241.18 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,8,8-tetrafluoro-8a-hydroxy-6-methyl-1,2,5,6-tetrahydroindolizin-3-one is sourced from PubChem (CID 135019632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).