1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one

C9H10FNO — CID 122623743

IUPAC1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one
SMILESCc1ccc2n(c1=O)CCC2F
InChIInChI=1S/C9H10FNO/c1-6-2-3-8-7(10)4-5-11(8)9(6)12/h2-3,7H,4-5H2,1H3
InChIKeyFXRTYYRIVKSNKM-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.57
Rot. Bonds

About 1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one

1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one (PubChem CID 122623743) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

Compound Name1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one
PubChem CID122623743
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one
SMILESCc1ccc2n(c1=O)CCC2F
InChIInChI=1S/C9H10FNO/c1-6-2-3-8-7(10)4-5-11(8)9(6)12/h2-3,7H,4-5H2,1H3
InChIKeyFXRTYYRIVKSNKM-UHFFFAOYSA-N
XLogP1.57
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one?
The IUPAC name of 1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one (CID 122623743) is 1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one.
What is the SMILES notation for 1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one?
The canonical SMILES for 1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one is Cc1ccc2n(c1=O)CCC2F.
What is the InChIKey of 1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one?
The InChIKey is FXRTYYRIVKSNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-6-2-3-8-7(10)4-5-11(8)9(6)12/h2-3,7H,4-5H2,1H3.
What are the key properties of 1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one?
1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one has a molecular weight of 167.18 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 122623743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).