(8aS)-2-fluoro-6,8-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

C10H16FNO — CID 118400695

IUPAC(8aS)-2-fluoro-6,8-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESCC1CC(C)[C@@H]2CC(F)CN2C1=O
InChIInChI=1S/C10H16FNO/c1-6-3-7(2)10(13)12-5-8(11)4-9(6)12/h6-9H,3-5H2,1-2H3/t6?,7?,8?,9-/m0/s1
InChIKeyXKZYTIWEYOZORY-BCZLUZIISA-N
MW185.24 g/mol
LogP1.60
Rot. Bonds

About (8aS)-2-fluoro-6,8-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

(8aS)-2-fluoro-6,8-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (PubChem CID 118400695) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is (8aS)-2-fluoro-6,8-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name(8aS)-2-fluoro-6,8-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
PubChem CID118400695
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name(8aS)-2-fluoro-6,8-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESCC1CC(C)[C@@H]2CC(F)CN2C1=O
InChIInChI=1S/C10H16FNO/c1-6-3-7(2)10(13)12-5-8(11)4-9(6)12/h6-9H,3-5H2,1-2H3/t6?,7?,8?,9-/m0/s1
InChIKeyXKZYTIWEYOZORY-BCZLUZIISA-N
XLogP1.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (8aS)-2-fluoro-6,8-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8aS)-2-fluoro-6,8-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The IUPAC name of (8aS)-2-fluoro-6,8-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (CID 118400695) is (8aS)-2-fluoro-6,8-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.
What is the SMILES notation for (8aS)-2-fluoro-6,8-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The canonical SMILES for (8aS)-2-fluoro-6,8-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is CC1CC(C)[C@@H]2CC(F)CN2C1=O.
What is the InChIKey of (8aS)-2-fluoro-6,8-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The InChIKey is XKZYTIWEYOZORY-BCZLUZIISA-N. The full InChI is InChI=1S/C10H16FNO/c1-6-3-7(2)10(13)12-5-8(11)4-9(6)12/h6-9H,3-5H2,1-2H3/t6?,7?,8?,9-/m0/s1.
What are the key properties of (8aS)-2-fluoro-6,8-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
(8aS)-2-fluoro-6,8-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one has a molecular weight of 185.24 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-2-fluoro-6,8-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is sourced from PubChem (CID 118400695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).