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

C10H12FNO — CID 122633271

IUPAC1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one
SMILESCc1cc(C)c(=O)n2c1C(F)CC2
InChIInChI=1S/C10H12FNO/c1-6-5-7(2)10(13)12-4-3-8(11)9(6)12/h5,8H,3-4H2,1-2H3
InChIKeyJEEGVSRCARXQCC-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.88
Rot. Bonds

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

1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one (PubChem CID 122633271) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

Compound Name1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one
PubChem CID122633271
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one
SMILESCc1cc(C)c(=O)n2c1C(F)CC2
InChIInChI=1S/C10H12FNO/c1-6-5-7(2)10(13)12-4-3-8(11)9(6)12/h5,8H,3-4H2,1-2H3
InChIKeyJEEGVSRCARXQCC-UHFFFAOYSA-N
XLogP1.88
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dihydroindolizin-5(1H)-one
CID 13616825
1-methyl-2,3-dihydro-1H-indolizin-5-one
CID 102163881
6-methyl-7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one
CID 59284256
1-Methyl-3-(trifluoromethyl)-6,7-dihydro-1H-cyclopenta[b]pyridine-2(5H)-one
CID 71737381
1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one
CID 122623743
1,1-Difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one
CID 122633273
8-bromo-1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one
CID 122633669
1,1-Difluoro-6-methyl-2,3-dihydroindolizin-5-one
CID 122633859
8-Bromo-1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one
CID 122634039
1,1-Difluoro-6-methyl-8-propan-2-yl-2,3-dihydroindolizin-5-one
CID 126608812
1-fluoro-6-methyl-8-propan-2-yl-2,3-dihydro-1H-indolizin-5-one
CID 126608819
1-Fluoro-1,6-dimethyl-8-propan-2-yl-2,3-dihydroindolizin-5-one
CID 126608823

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one?
The IUPAC name of 1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one (CID 122633271) is 1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one.
What is the SMILES notation for 1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one?
The canonical SMILES for 1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one is Cc1cc(C)c(=O)n2c1C(F)CC2.
What is the InChIKey of 1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one?
The InChIKey is JEEGVSRCARXQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-6-5-7(2)10(13)12-4-3-8(11)9(6)12/h5,8H,3-4H2,1-2H3.
What are the key properties of 1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one?
1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one has a molecular weight of 181.21 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 122633271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).