ethane;1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one

C12H18FNO — CID 145172125

IUPACethane;1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one
SMILESCC.Cc1cc(C)c(=O)n2c1C(F)CC2
InChIInChI=1S/C10H12FNO.C2H6/c1-6-5-7(2)10(13)12-4-3-8(11)9(6)12;1-2/h5,8H,3-4H2,1-2H3;1-2H3
InChIKeyHWSCJFBRFIXGDL-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.91
Rot. Bonds

About ethane;1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one

ethane;1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one (PubChem CID 145172125) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is ethane;1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

Compound Nameethane;1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one
PubChem CID145172125
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Nameethane;1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one
SMILESCC.Cc1cc(C)c(=O)n2c1C(F)CC2
InChIInChI=1S/C10H12FNO.C2H6/c1-6-5-7(2)10(13)12-4-3-8(11)9(6)12;1-2/h5,8H,3-4H2,1-2H3;1-2H3
InChIKeyHWSCJFBRFIXGDL-UHFFFAOYSA-N
XLogP2.91
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one?
The IUPAC name of ethane;1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one (CID 145172125) is ethane;1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one.
What is the SMILES notation for ethane;1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one?
The canonical SMILES for ethane;1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one is CC.Cc1cc(C)c(=O)n2c1C(F)CC2.
What is the InChIKey of ethane;1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one?
The InChIKey is HWSCJFBRFIXGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO.C2H6/c1-6-5-7(2)10(13)12-4-3-8(11)9(6)12;1-2/h5,8H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one?
ethane;1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one has a molecular weight of 211.28 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 145172125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).