2-ethyl-5,6-difluoroisoindole-1,3-dione

C10H7F2NO2 — CID 58482849

IUPAC2-ethyl-5,6-difluoroisoindole-1,3-dione
SMILESCCN1C(=O)c2cc(F)c(F)cc2C1=O
InChIInChI=1S/C10H7F2NO2/c1-2-13-9(14)5-3-7(11)8(12)4-6(5)10(13)15/h3-4H,2H2,1H3
InChIKeyQTSMESDLQXCOMS-UHFFFAOYSA-N
MW211.17 g/mol
LogP1.58
Rot. Bonds1

About 2-ethyl-5,6-difluoroisoindole-1,3-dione

2-ethyl-5,6-difluoroisoindole-1,3-dione (PubChem CID 58482849) has the molecular formula C10H7F2NO2 and a molecular weight of 211.17 g/mol. Its IUPAC name is 2-ethyl-5,6-difluoroisoindole-1,3-dione.

Molecular Properties

Compound Name2-ethyl-5,6-difluoroisoindole-1,3-dione
PubChem CID58482849
Molecular FormulaC10H7F2NO2
Molecular Weight211.17 g/mol
Exact Mass211.04
IUPAC Name2-ethyl-5,6-difluoroisoindole-1,3-dione
SMILESCCN1C(=O)c2cc(F)c(F)cc2C1=O
InChIInChI=1S/C10H7F2NO2/c1-2-13-9(14)5-3-7(11)8(12)4-6(5)10(13)15/h3-4H,2H2,1H3
InChIKeyQTSMESDLQXCOMS-UHFFFAOYSA-N
XLogP1.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-ethyl-5,6-difluoroisoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-ethyl-2-(hydroxymethyl)butyl]-5,6-difluoroisoindole-1,3-dione
CID 106253994
6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 160765942
2-ethyl-1,3-dioxoisoindole-5-carbaldehyde
CID 58922228
2-ethyl-5-phenylisoindole-1,3-dione
CID 58482896
2-ethyl-5-ethynylisoindole-1,3-dione
CID 58482881
3-(5,6-difluoro-1,3-dioxoisoindol-2-yl)-2-methoxypropanoic acid
CID 106108327
2-ethyl-5,6-difluoro-3-hydroxy-3H-isoindol-1-one
CID 91537013
2-ethyl-1,3-dioxoisoindole-5-carboxylate
CID 3638476
2,10-dibromo-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
CID 59861072
7-butyl-18-ethyl-22-fluoro-11-methyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
CID 118055377
2-[(3-bromophenyl)methyl]-5,6-difluoroisoindole-1,3-dione
CID 60774167
13-ethyl-6-oxa-13-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 58709206

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,6-difluoroisoindole-1,3-dione?
The IUPAC name of 2-ethyl-5,6-difluoroisoindole-1,3-dione (CID 58482849) is 2-ethyl-5,6-difluoroisoindole-1,3-dione.
What is the SMILES notation for 2-ethyl-5,6-difluoroisoindole-1,3-dione?
The canonical SMILES for 2-ethyl-5,6-difluoroisoindole-1,3-dione is CCN1C(=O)c2cc(F)c(F)cc2C1=O.
What is the InChIKey of 2-ethyl-5,6-difluoroisoindole-1,3-dione?
The InChIKey is QTSMESDLQXCOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO2/c1-2-13-9(14)5-3-7(11)8(12)4-6(5)10(13)15/h3-4H,2H2,1H3.
What are the key properties of 2-ethyl-5,6-difluoroisoindole-1,3-dione?
2-ethyl-5,6-difluoroisoindole-1,3-dione has a molecular weight of 211.17 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,6-difluoroisoindole-1,3-dione is sourced from PubChem (CID 58482849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).