2-[(2R)-4-[3,4-di(propan-2-yloxy)phenyl]butan-2-yl]-5-fluoro-1,3-dihydroisoindole

C24H32FNO2 — CID 118282836

IUPAC2-[(2R)-4-[3,4-di(propan-2-yloxy)phenyl]butan-2-yl]-5-fluoro-1,3-dihydroisoindole
SMILESCC(C)Oc1ccc(CC[C@@H](C)N2Cc3ccc(F)cc3C2)cc1OC(C)C
InChIInChI=1S/C24H32FNO2/c1-16(2)27-23-11-8-19(12-24(23)28-17(3)4)7-6-18(5)26-14-20-9-10-22(25)13-21(20)15-26/h8-13,16-18H,6-7,14-15H2,1-5H3/t18-/m1/s1
InChIKeyCVCVHLAGPYEAKC-GOSISDBHSA-N
MW385.52 g/mol
LogP5.74
Rot. Bonds8

About 2-[(2R)-4-[3,4-di(propan-2-yloxy)phenyl]butan-2-yl]-5-fluoro-1,3-dihydroisoindole

2-[(2R)-4-[3,4-di(propan-2-yloxy)phenyl]butan-2-yl]-5-fluoro-1,3-dihydroisoindole (PubChem CID 118282836) has the molecular formula C24H32FNO2 and a molecular weight of 385.52 g/mol. Its IUPAC name is 2-[(2R)-4-[3,4-di(propan-2-yloxy)phenyl]butan-2-yl]-5-fluoro-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[(2R)-4-[3,4-di(propan-2-yloxy)phenyl]butan-2-yl]-5-fluoro-1,3-dihydroisoindole
PubChem CID118282836
Molecular FormulaC24H32FNO2
Molecular Weight385.52 g/mol
Exact Mass385.24
IUPAC Name2-[(2R)-4-[3,4-di(propan-2-yloxy)phenyl]butan-2-yl]-5-fluoro-1,3-dihydroisoindole
SMILESCC(C)Oc1ccc(CC[C@@H](C)N2Cc3ccc(F)cc3C2)cc1OC(C)C
InChIInChI=1S/C24H32FNO2/c1-16(2)27-23-11-8-19(12-24(23)28-17(3)4)7-6-18(5)26-14-20-9-10-22(25)13-21(20)15-26/h8-13,16-18H,6-7,14-15H2,1-5H3/t18-/m1/s1
InChIKeyCVCVHLAGPYEAKC-GOSISDBHSA-N
XLogP5.74
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.52
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[3,4-di(propan-2-yloxy)phenyl]butan-2-yl]-5-fluoro-1,3-dihydroisoindole?
The IUPAC name of 2-[(2R)-4-[3,4-di(propan-2-yloxy)phenyl]butan-2-yl]-5-fluoro-1,3-dihydroisoindole (CID 118282836) is 2-[(2R)-4-[3,4-di(propan-2-yloxy)phenyl]butan-2-yl]-5-fluoro-1,3-dihydroisoindole.
What is the SMILES notation for 2-[(2R)-4-[3,4-di(propan-2-yloxy)phenyl]butan-2-yl]-5-fluoro-1,3-dihydroisoindole?
The canonical SMILES for 2-[(2R)-4-[3,4-di(propan-2-yloxy)phenyl]butan-2-yl]-5-fluoro-1,3-dihydroisoindole is CC(C)Oc1ccc(CC[C@@H](C)N2Cc3ccc(F)cc3C2)cc1OC(C)C.
What is the InChIKey of 2-[(2R)-4-[3,4-di(propan-2-yloxy)phenyl]butan-2-yl]-5-fluoro-1,3-dihydroisoindole?
The InChIKey is CVCVHLAGPYEAKC-GOSISDBHSA-N. The full InChI is InChI=1S/C24H32FNO2/c1-16(2)27-23-11-8-19(12-24(23)28-17(3)4)7-6-18(5)26-14-20-9-10-22(25)13-21(20)15-26/h8-13,16-18H,6-7,14-15H2,1-5H3/t18-/m1/s1.
What are the key properties of 2-[(2R)-4-[3,4-di(propan-2-yloxy)phenyl]butan-2-yl]-5-fluoro-1,3-dihydroisoindole?
2-[(2R)-4-[3,4-di(propan-2-yloxy)phenyl]butan-2-yl]-5-fluoro-1,3-dihydroisoindole has a molecular weight of 385.52 g/mol, XLogP of 5.74, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[3,4-di(propan-2-yloxy)phenyl]butan-2-yl]-5-fluoro-1,3-dihydroisoindole is sourced from PubChem (CID 118282836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).