5,6-difluoro-2-(1-hydroxy-4-methylpentan-3-yl)isoindole-1,3-dione

C14H15F2NO3 — CID 106353552

IUPAC5,6-difluoro-2-(1-hydroxy-4-methylpentan-3-yl)isoindole-1,3-dione
SMILESCC(C)C(CCO)N1C(=O)c2cc(F)c(F)cc2C1=O
InChIInChI=1S/C14H15F2NO3/c1-7(2)12(3-4-18)17-13(19)8-5-10(15)11(16)6-9(8)14(17)20/h5-7,12,18H,3-4H2,1-2H3
InChIKeyJJQIRTPDARHTOP-UHFFFAOYSA-N
MW283.27 g/mol
LogP1.97
Rot. Bonds4

About 5,6-difluoro-2-(1-hydroxy-4-methylpentan-3-yl)isoindole-1,3-dione

5,6-difluoro-2-(1-hydroxy-4-methylpentan-3-yl)isoindole-1,3-dione (PubChem CID 106353552) has the molecular formula C14H15F2NO3 and a molecular weight of 283.27 g/mol. Its IUPAC name is 5,6-difluoro-2-(1-hydroxy-4-methylpentan-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5,6-difluoro-2-(1-hydroxy-4-methylpentan-3-yl)isoindole-1,3-dione
PubChem CID106353552
Molecular FormulaC14H15F2NO3
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name5,6-difluoro-2-(1-hydroxy-4-methylpentan-3-yl)isoindole-1,3-dione
SMILESCC(C)C(CCO)N1C(=O)c2cc(F)c(F)cc2C1=O
InChIInChI=1S/C14H15F2NO3/c1-7(2)12(3-4-18)17-13(19)8-5-10(15)11(16)6-9(8)14(17)20/h5-7,12,18H,3-4H2,1-2H3
InChIKeyJJQIRTPDARHTOP-UHFFFAOYSA-N
XLogP1.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Isopropylphthalimide
CID 67535
N-(hydroxymethyl)phthalimide
CID 8354
N-Butylphthalimide
CID 73812
N-Ethylphthalimide
CID 21120
N-(2-Methylallyl)-phthalimide
CID 231838
N-Propylphthalimide
CID 79215
Phthalimide, N-(3-methyl-2-butenyl)-
CID 96648
1H-Isoindole-1,3(2H)-dione, 2-(1-methylpropyl)-
CID 95380
4,5,6,7-tetrafluoro-2-[(1S)-1-phenylethyl]-2,3-dihydro-1H-isoindole-1,3-dione
CID 9883659
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoic acid
CID 138417
N-(2-Hydroxyethyl)phthalimide
CID 77499
2-(3-Hydroxypropyl)isoindoline-1,3-dione
CID 70160

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-(1-hydroxy-4-methylpentan-3-yl)isoindole-1,3-dione?
The IUPAC name of 5,6-difluoro-2-(1-hydroxy-4-methylpentan-3-yl)isoindole-1,3-dione (CID 106353552) is 5,6-difluoro-2-(1-hydroxy-4-methylpentan-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5,6-difluoro-2-(1-hydroxy-4-methylpentan-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5,6-difluoro-2-(1-hydroxy-4-methylpentan-3-yl)isoindole-1,3-dione is CC(C)C(CCO)N1C(=O)c2cc(F)c(F)cc2C1=O.
What is the InChIKey of 5,6-difluoro-2-(1-hydroxy-4-methylpentan-3-yl)isoindole-1,3-dione?
The InChIKey is JJQIRTPDARHTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO3/c1-7(2)12(3-4-18)17-13(19)8-5-10(15)11(16)6-9(8)14(17)20/h5-7,12,18H,3-4H2,1-2H3.
What are the key properties of 5,6-difluoro-2-(1-hydroxy-4-methylpentan-3-yl)isoindole-1,3-dione?
5,6-difluoro-2-(1-hydroxy-4-methylpentan-3-yl)isoindole-1,3-dione has a molecular weight of 283.27 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2-(1-hydroxy-4-methylpentan-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 106353552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).