6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole

C20H22FNO2 — CID 118282888

IUPAC6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole
SMILESCC(C)(CCc1ccc(F)cc1)N1Cc2cc3c(cc2C1)OCO3
InChIInChI=1S/C20H22FNO2/c1-20(2,8-7-14-3-5-17(21)6-4-14)22-11-15-9-18-19(24-13-23-18)10-16(15)12-22/h3-6,9-10H,7-8,11-13H2,1-2H3
InChIKeyQSCBMVHTDSJVEE-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.28
Rot. Bonds4

About 6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole

6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole (PubChem CID 118282888) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole.

Molecular Properties

Compound Name6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole
PubChem CID118282888
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole
SMILESCC(C)(CCc1ccc(F)cc1)N1Cc2cc3c(cc2C1)OCO3
InChIInChI=1S/C20H22FNO2/c1-20(2,8-7-14-3-5-17(21)6-4-14)22-11-15-9-18-19(24-13-23-18)10-16(15)12-22/h3-6,9-10H,7-8,11-13H2,1-2H3
InChIKeyQSCBMVHTDSJVEE-UHFFFAOYSA-N
XLogP4.28
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole?
The IUPAC name of 6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole (CID 118282888) is 6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole.
What is the SMILES notation for 6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole?
The canonical SMILES for 6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole is CC(C)(CCc1ccc(F)cc1)N1Cc2cc3c(cc2C1)OCO3.
What is the InChIKey of 6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole?
The InChIKey is QSCBMVHTDSJVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-20(2,8-7-14-3-5-17(21)6-4-14)22-11-15-9-18-19(24-13-23-18)10-16(15)12-22/h3-6,9-10H,7-8,11-13H2,1-2H3.
What are the key properties of 6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole?
6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole has a molecular weight of 327.40 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole is sourced from PubChem (CID 118282888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).