3-ethyl-5-fluoro-2,3-dihydroisoindol-1-one

C10H10FNO — CID 84732174

IUPAC3-ethyl-5-fluoro-2,3-dihydroisoindol-1-one
SMILESCCC1NC(=O)c2ccc(F)cc21
InChIInChI=1S/C10H10FNO/c1-2-9-8-5-6(11)3-4-7(8)10(13)12-9/h3-5,9H,2H2,1H3,(H,12,13)
InChIKeyMYPOLPIHOSMMNC-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.02
Rot. Bonds1

About 3-ethyl-5-fluoro-2,3-dihydroisoindol-1-one

3-ethyl-5-fluoro-2,3-dihydroisoindol-1-one (PubChem CID 84732174) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 3-ethyl-5-fluoro-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name3-ethyl-5-fluoro-2,3-dihydroisoindol-1-one
PubChem CID84732174
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name3-ethyl-5-fluoro-2,3-dihydroisoindol-1-one
SMILESCCC1NC(=O)c2ccc(F)cc21
InChIInChI=1S/C10H10FNO/c1-2-9-8-5-6(11)3-4-7(8)10(13)12-9/h3-5,9H,2H2,1H3,(H,12,13)
InChIKeyMYPOLPIHOSMMNC-UHFFFAOYSA-N
XLogP2.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-fluoro-2,3-dihydroisoindol-1-one?
The IUPAC name of 3-ethyl-5-fluoro-2,3-dihydroisoindol-1-one (CID 84732174) is 3-ethyl-5-fluoro-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 3-ethyl-5-fluoro-2,3-dihydroisoindol-1-one?
The canonical SMILES for 3-ethyl-5-fluoro-2,3-dihydroisoindol-1-one is CCC1NC(=O)c2ccc(F)cc21.
What is the InChIKey of 3-ethyl-5-fluoro-2,3-dihydroisoindol-1-one?
The InChIKey is MYPOLPIHOSMMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-2-9-8-5-6(11)3-4-7(8)10(13)12-9/h3-5,9H,2H2,1H3,(H,12,13).
What are the key properties of 3-ethyl-5-fluoro-2,3-dihydroisoindol-1-one?
3-ethyl-5-fluoro-2,3-dihydroisoindol-1-one has a molecular weight of 179.19 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-fluoro-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 84732174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).