5-fluoro-6-propan-2-ylisoindole-1,3-dione;propane

C14H18FNO2 — CID 156713123

IUPAC5-fluoro-6-propan-2-ylisoindole-1,3-dione;propane
SMILESCC(C)c1cc2c(cc1F)C(=O)NC2=O.CCC
InChIInChI=1S/C11H10FNO2.C3H8/c1-5(2)6-3-7-8(4-9(6)12)11(15)13-10(7)14;1-3-2/h3-5H,1-2H3,(H,13,14,15);3H2,1-2H3
InChIKeyBLWVVFBTQPNJCX-UHFFFAOYSA-N
MW251.30 g/mol
LogP3.25
Rot. Bonds1

About 5-fluoro-6-propan-2-ylisoindole-1,3-dione;propane

5-fluoro-6-propan-2-ylisoindole-1,3-dione;propane (PubChem CID 156713123) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 5-fluoro-6-propan-2-ylisoindole-1,3-dione;propane.

Molecular Properties

Compound Name5-fluoro-6-propan-2-ylisoindole-1,3-dione;propane
PubChem CID156713123
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name5-fluoro-6-propan-2-ylisoindole-1,3-dione;propane
SMILESCC(C)c1cc2c(cc1F)C(=O)NC2=O.CCC
InChIInChI=1S/C11H10FNO2.C3H8/c1-5(2)6-3-7-8(4-9(6)12)11(15)13-10(7)14;1-3-2/h3-5H,1-2H3,(H,13,14,15);3H2,1-2H3
InChIKeyBLWVVFBTQPNJCX-UHFFFAOYSA-N
XLogP3.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-propan-2-ylisoindole-1,3-dione;propane?
The IUPAC name of 5-fluoro-6-propan-2-ylisoindole-1,3-dione;propane (CID 156713123) is 5-fluoro-6-propan-2-ylisoindole-1,3-dione;propane.
What is the SMILES notation for 5-fluoro-6-propan-2-ylisoindole-1,3-dione;propane?
The canonical SMILES for 5-fluoro-6-propan-2-ylisoindole-1,3-dione;propane is CC(C)c1cc2c(cc1F)C(=O)NC2=O.CCC.
What is the InChIKey of 5-fluoro-6-propan-2-ylisoindole-1,3-dione;propane?
The InChIKey is BLWVVFBTQPNJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2.C3H8/c1-5(2)6-3-7-8(4-9(6)12)11(15)13-10(7)14;1-3-2/h3-5H,1-2H3,(H,13,14,15);3H2,1-2H3.
What are the key properties of 5-fluoro-6-propan-2-ylisoindole-1,3-dione;propane?
5-fluoro-6-propan-2-ylisoindole-1,3-dione;propane has a molecular weight of 251.30 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-propan-2-ylisoindole-1,3-dione;propane is sourced from PubChem (CID 156713123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).