2-(5-fluoro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione

C19H20FNO3 — CID 134088096

IUPAC2-(5-fluoro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
SMILESCC1(C)CCc2c(F)ccc(N3C(=O)C4=C(CCCC4)C3=O)c2O1
InChIInChI=1S/C19H20FNO3/c1-19(2)10-9-13-14(20)7-8-15(16(13)24-19)21-17(22)11-5-3-4-6-12(11)18(21)23/h7-8H,3-6,9-10H2,1-2H3
InChIKeyFPBLWQPUMJUXEX-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.67
Rot. Bonds1

About 2-(5-fluoro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione

2-(5-fluoro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione (PubChem CID 134088096) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 2-(5-fluoro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-(5-fluoro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
PubChem CID134088096
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name2-(5-fluoro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
SMILESCC1(C)CCc2c(F)ccc(N3C(=O)C4=C(CCCC4)C3=O)c2O1
InChIInChI=1S/C19H20FNO3/c1-19(2)10-9-13-14(20)7-8-15(16(13)24-19)21-17(22)11-5-3-4-6-12(11)18(21)23/h7-8H,3-6,9-10H2,1-2H3
InChIKeyFPBLWQPUMJUXEX-UHFFFAOYSA-N
XLogP3.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 88561126
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CID 88561196
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CID 88561368
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CID 123357917
CID 123357917
CID 131731875
CID 131731875
CID 135192662
CID 135192662
CID 135192669
CID 135192669
CID 139642657
CID 139642657
CID 139642658
CID 139642658
CID 149559749
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CID 152759595
CID 152759595

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The IUPAC name of 2-(5-fluoro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione (CID 134088096) is 2-(5-fluoro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione.
What is the SMILES notation for 2-(5-fluoro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The canonical SMILES for 2-(5-fluoro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione is CC1(C)CCc2c(F)ccc(N3C(=O)C4=C(CCCC4)C3=O)c2O1.
What is the InChIKey of 2-(5-fluoro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The InChIKey is FPBLWQPUMJUXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-19(2)10-9-13-14(20)7-8-15(16(13)24-19)21-17(22)11-5-3-4-6-12(11)18(21)23/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(5-fluoro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
2-(5-fluoro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione has a molecular weight of 329.37 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione is sourced from PubChem (CID 134088096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).