1,1,1,3,3,3-hexafluoro-2-[1-(2-hydroxy-1-phenylethyl)-2-methyl-2,3-dihydroindol-5-yl]propan-2-ol

C20H19F6NO2 — CID 11509976

IUPAC1,1,1,3,3,3-hexafluoro-2-[1-(2-hydroxy-1-phenylethyl)-2-methyl-2,3-dihydroindol-5-yl]propan-2-ol
SMILESCC1Cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1C(CO)c1ccccc1
InChIInChI=1S/C20H19F6NO2/c1-12-9-14-10-15(18(29,19(21,22)23)20(24,25)26)7-8-16(14)27(12)17(11-28)13-5-3-2-4-6-13/h2-8,10,12,17,28-29H,9,11H2,1H3
InChIKeyCNXYRVFERZLJRP-UHFFFAOYSA-N
MW419.37 g/mol
LogP4.48
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoro-2-[1-(2-hydroxy-1-phenylethyl)-2-methyl-2,3-dihydroindol-5-yl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[1-(2-hydroxy-1-phenylethyl)-2-methyl-2,3-dihydroindol-5-yl]propan-2-ol (PubChem CID 11509976) has the molecular formula C20H19F6NO2 and a molecular weight of 419.37 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[1-(2-hydroxy-1-phenylethyl)-2-methyl-2,3-dihydroindol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[1-(2-hydroxy-1-phenylethyl)-2-methyl-2,3-dihydroindol-5-yl]propan-2-ol
PubChem CID11509976
Molecular FormulaC20H19F6NO2
Molecular Weight419.37 g/mol
Exact Mass419.13
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[1-(2-hydroxy-1-phenylethyl)-2-methyl-2,3-dihydroindol-5-yl]propan-2-ol
SMILESCC1Cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1C(CO)c1ccccc1
InChIInChI=1S/C20H19F6NO2/c1-12-9-14-10-15(18(29,19(21,22)23)20(24,25)26)7-8-16(14)27(12)17(11-28)13-5-3-2-4-6-13/h2-8,10,12,17,28-29H,9,11H2,1H3
InChIKeyCNXYRVFERZLJRP-UHFFFAOYSA-N
XLogP4.48
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.37
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[1-(2-hydroxy-1-phenylethyl)-2-methyl-2,3-dihydroindol-5-yl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[1-(2-hydroxy-1-phenylethyl)-2-methyl-2,3-dihydroindol-5-yl]propan-2-ol (CID 11509976) is 1,1,1,3,3,3-hexafluoro-2-[1-(2-hydroxy-1-phenylethyl)-2-methyl-2,3-dihydroindol-5-yl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[1-(2-hydroxy-1-phenylethyl)-2-methyl-2,3-dihydroindol-5-yl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[1-(2-hydroxy-1-phenylethyl)-2-methyl-2,3-dihydroindol-5-yl]propan-2-ol is CC1Cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1C(CO)c1ccccc1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[1-(2-hydroxy-1-phenylethyl)-2-methyl-2,3-dihydroindol-5-yl]propan-2-ol?
The InChIKey is CNXYRVFERZLJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F6NO2/c1-12-9-14-10-15(18(29,19(21,22)23)20(24,25)26)7-8-16(14)27(12)17(11-28)13-5-3-2-4-6-13/h2-8,10,12,17,28-29H,9,11H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[1-(2-hydroxy-1-phenylethyl)-2-methyl-2,3-dihydroindol-5-yl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[1-(2-hydroxy-1-phenylethyl)-2-methyl-2,3-dihydroindol-5-yl]propan-2-ol has a molecular weight of 419.37 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[1-(2-hydroxy-1-phenylethyl)-2-methyl-2,3-dihydroindol-5-yl]propan-2-ol is sourced from PubChem (CID 11509976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).