6-fluoro-5-propan-2-yl-2,3-dihydroisoindol-1-one

C11H12FNO — CID 153301418

IUPAC6-fluoro-5-propan-2-yl-2,3-dihydroisoindol-1-one
SMILESCC(C)c1cc2c(cc1F)C(=O)NC2
InChIInChI=1S/C11H12FNO/c1-6(2)8-3-7-5-13-11(14)9(7)4-10(8)12/h3-4,6H,5H2,1-2H3,(H,13,14)
InChIKeyMTSDBFALMCICGW-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.19
Rot. Bonds1

About 6-fluoro-5-propan-2-yl-2,3-dihydroisoindol-1-one

6-fluoro-5-propan-2-yl-2,3-dihydroisoindol-1-one (PubChem CID 153301418) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 6-fluoro-5-propan-2-yl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-fluoro-5-propan-2-yl-2,3-dihydroisoindol-1-one
PubChem CID153301418
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name6-fluoro-5-propan-2-yl-2,3-dihydroisoindol-1-one
SMILESCC(C)c1cc2c(cc1F)C(=O)NC2
InChIInChI=1S/C11H12FNO/c1-6(2)8-3-7-5-13-11(14)9(7)4-10(8)12/h3-4,6H,5H2,1-2H3,(H,13,14)
InChIKeyMTSDBFALMCICGW-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-propan-2-yl-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-fluoro-5-propan-2-yl-2,3-dihydroisoindol-1-one (CID 153301418) is 6-fluoro-5-propan-2-yl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-fluoro-5-propan-2-yl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-fluoro-5-propan-2-yl-2,3-dihydroisoindol-1-one is CC(C)c1cc2c(cc1F)C(=O)NC2.
What is the InChIKey of 6-fluoro-5-propan-2-yl-2,3-dihydroisoindol-1-one?
The InChIKey is MTSDBFALMCICGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-6(2)8-3-7-5-13-11(14)9(7)4-10(8)12/h3-4,6H,5H2,1-2H3,(H,13,14).
What are the key properties of 6-fluoro-5-propan-2-yl-2,3-dihydroisoindol-1-one?
6-fluoro-5-propan-2-yl-2,3-dihydroisoindol-1-one has a molecular weight of 193.22 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-propan-2-yl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 153301418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).