(8aS)-2,2-difluoro-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one

C10H15F2NO — CID 118400697

IUPAC(8aS)-2,2-difluoro-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one
SMILESCC1CC(C)[C@@H]2CC(F)(F)CN2C1=O
InChIInChI=1S/C10H15F2NO/c1-6-3-7(2)9(14)13-5-10(11,12)4-8(6)13/h6-8H,3-5H2,1-2H3/t6?,7?,8-/m0/s1
InChIKeyGDYVXZWYAHGFSX-RRQHEKLDSA-N
MW203.23 g/mol
LogP1.90
Rot. Bonds

About (8aS)-2,2-difluoro-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one

(8aS)-2,2-difluoro-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one (PubChem CID 118400697) has the molecular formula C10H15F2NO and a molecular weight of 203.23 g/mol. Its IUPAC name is (8aS)-2,2-difluoro-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one.

Molecular Properties

Compound Name(8aS)-2,2-difluoro-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one
PubChem CID118400697
Molecular FormulaC10H15F2NO
Molecular Weight203.23 g/mol
Exact Mass203.11
IUPAC Name(8aS)-2,2-difluoro-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one
SMILESCC1CC(C)[C@@H]2CC(F)(F)CN2C1=O
InChIInChI=1S/C10H15F2NO/c1-6-3-7(2)9(14)13-5-10(11,12)4-8(6)13/h6-8H,3-5H2,1-2H3/t6?,7?,8-/m0/s1
InChIKeyGDYVXZWYAHGFSX-RRQHEKLDSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8aS)-2,2-difluoro-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one?
The IUPAC name of (8aS)-2,2-difluoro-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one (CID 118400697) is (8aS)-2,2-difluoro-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one.
What is the SMILES notation for (8aS)-2,2-difluoro-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one?
The canonical SMILES for (8aS)-2,2-difluoro-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one is CC1CC(C)[C@@H]2CC(F)(F)CN2C1=O.
What is the InChIKey of (8aS)-2,2-difluoro-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one?
The InChIKey is GDYVXZWYAHGFSX-RRQHEKLDSA-N. The full InChI is InChI=1S/C10H15F2NO/c1-6-3-7(2)9(14)13-5-10(11,12)4-8(6)13/h6-8H,3-5H2,1-2H3/t6?,7?,8-/m0/s1.
What are the key properties of (8aS)-2,2-difluoro-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one?
(8aS)-2,2-difluoro-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one has a molecular weight of 203.23 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-2,2-difluoro-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one is sourced from PubChem (CID 118400697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).