1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1,2,5-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol

C20H15F6N3O2 — CID 72699897

IUPAC1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1,2,5-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol
SMILESOC(c1ccc(CN2CCc3cc(-c4cnon4)ccc32)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H15F6N3O2/c21-19(22,23)18(30,20(24,25)26)15-4-1-12(2-5-15)11-29-8-7-14-9-13(3-6-17(14)29)16-10-27-31-28-16/h1-6,9-10,30H,7-8,11H2
InChIKeyHWWLLSHOHYLEQY-UHFFFAOYSA-N
MW443.35 g/mol
LogP4.61
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1,2,5-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1,2,5-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol (PubChem CID 72699897) has the molecular formula C20H15F6N3O2 and a molecular weight of 443.35 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1,2,5-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1,2,5-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol
PubChem CID72699897
Molecular FormulaC20H15F6N3O2
Molecular Weight443.35 g/mol
Exact Mass443.11
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1,2,5-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol
SMILESOC(c1ccc(CN2CCc3cc(-c4cnon4)ccc32)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H15F6N3O2/c21-19(22,23)18(30,20(24,25)26)15-4-1-12(2-5-15)11-29-8-7-14-9-13(3-6-17(14)29)16-10-27-31-28-16/h1-6,9-10,30H,7-8,11H2
InChIKeyHWWLLSHOHYLEQY-UHFFFAOYSA-N
XLogP4.61
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1,2,5-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1,2,5-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol (CID 72699897) is 1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1,2,5-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1,2,5-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1,2,5-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol is OC(c1ccc(CN2CCc3cc(-c4cnon4)ccc32)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1,2,5-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol?
The InChIKey is HWWLLSHOHYLEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F6N3O2/c21-19(22,23)18(30,20(24,25)26)15-4-1-12(2-5-15)11-29-8-7-14-9-13(3-6-17(14)29)16-10-27-31-28-16/h1-6,9-10,30H,7-8,11H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1,2,5-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1,2,5-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol has a molecular weight of 443.35 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1,2,5-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol is sourced from PubChem (CID 72699897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).