2-cyclohexyl-4,5,6,7-tetrafluoroisoindole-1,3-dione

C14H11F4NO2 — CID 14274184

IUPAC2-cyclohexyl-4,5,6,7-tetrafluoroisoindole-1,3-dione
SMILESO=C1c2c(F)c(F)c(F)c(F)c2C(=O)N1C1CCCCC1
InChIInChI=1S/C14H11F4NO2/c15-9-7-8(10(16)12(18)11(9)17)14(21)19(13(7)20)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyWTVYUJGLUSXAQP-UHFFFAOYSA-N
MW301.24 g/mol
LogP3.17
Rot. Bonds1

About 2-cyclohexyl-4,5,6,7-tetrafluoroisoindole-1,3-dione

2-cyclohexyl-4,5,6,7-tetrafluoroisoindole-1,3-dione (PubChem CID 14274184) has the molecular formula C14H11F4NO2 and a molecular weight of 301.24 g/mol. Its IUPAC name is 2-cyclohexyl-4,5,6,7-tetrafluoroisoindole-1,3-dione.

Molecular Properties

Compound Name2-cyclohexyl-4,5,6,7-tetrafluoroisoindole-1,3-dione
PubChem CID14274184
Molecular FormulaC14H11F4NO2
Molecular Weight301.24 g/mol
Exact Mass301.07
IUPAC Name2-cyclohexyl-4,5,6,7-tetrafluoroisoindole-1,3-dione
SMILESO=C1c2c(F)c(F)c(F)c(F)c2C(=O)N1C1CCCCC1
InChIInChI=1S/C14H11F4NO2/c15-9-7-8(10(16)12(18)11(9)17)14(21)19(13(7)20)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyWTVYUJGLUSXAQP-UHFFFAOYSA-N
XLogP3.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-cyclohexyl-4,5,6,7-tetrafluoroisoindole-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

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4,5,6,7-tetrafluoroisoindole-1,3-dione?
The IUPAC name of 2-cyclohexyl-4,5,6,7-tetrafluoroisoindole-1,3-dione (CID 14274184) is 2-cyclohexyl-4,5,6,7-tetrafluoroisoindole-1,3-dione.
What is the SMILES notation for 2-cyclohexyl-4,5,6,7-tetrafluoroisoindole-1,3-dione?
The canonical SMILES for 2-cyclohexyl-4,5,6,7-tetrafluoroisoindole-1,3-dione is O=C1c2c(F)c(F)c(F)c(F)c2C(=O)N1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-4,5,6,7-tetrafluoroisoindole-1,3-dione?
The InChIKey is WTVYUJGLUSXAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO2/c15-9-7-8(10(16)12(18)11(9)17)14(21)19(13(7)20)6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of 2-cyclohexyl-4,5,6,7-tetrafluoroisoindole-1,3-dione?
2-cyclohexyl-4,5,6,7-tetrafluoroisoindole-1,3-dione has a molecular weight of 301.24 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4,5,6,7-tetrafluoroisoindole-1,3-dione is sourced from PubChem (CID 14274184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).