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

C20H19F6NO2 — CID 11589809

IUPAC1,1,1,3,3,3-hexafluoro-2-[1-[[3-(hydroxymethyl)phenyl]methyl]-2-methyl-2,3-dihydroindol-5-yl]propan-2-ol
SMILESCC1Cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1Cc1cccc(CO)c1
InChIInChI=1S/C20H19F6NO2/c1-12-7-15-9-16(18(29,19(21,22)23)20(24,25)26)5-6-17(15)27(12)10-13-3-2-4-14(8-13)11-28/h2-6,8-9,12,28-29H,7,10-11H2,1H3
InChIKeySFHCXLALCZBFDS-UHFFFAOYSA-N
MW419.37 g/mol
LogP4.44
Rot. Bonds4

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

1,1,1,3,3,3-hexafluoro-2-[1-[[3-(hydroxymethyl)phenyl]methyl]-2-methyl-2,3-dihydroindol-5-yl]propan-2-ol (PubChem CID 11589809) 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-[[3-(hydroxymethyl)phenyl]methyl]-2-methyl-2,3-dihydroindol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[1-[[3-(hydroxymethyl)phenyl]methyl]-2-methyl-2,3-dihydroindol-5-yl]propan-2-ol
PubChem CID11589809
Molecular FormulaC20H19F6NO2
Molecular Weight419.37 g/mol
Exact Mass419.13
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[1-[[3-(hydroxymethyl)phenyl]methyl]-2-methyl-2,3-dihydroindol-5-yl]propan-2-ol
SMILESCC1Cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1Cc1cccc(CO)c1
InChIInChI=1S/C20H19F6NO2/c1-12-7-15-9-16(18(29,19(21,22)23)20(24,25)26)5-6-17(15)27(12)10-13-3-2-4-14(8-13)11-28/h2-6,8-9,12,28-29H,7,10-11H2,1H3
InChIKeySFHCXLALCZBFDS-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
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-[[3-(hydroxymethyl)phenyl]methyl]-2-methyl-2,3-dihydroindol-5-yl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[1-[[3-(hydroxymethyl)phenyl]methyl]-2-methyl-2,3-dihydroindol-5-yl]propan-2-ol (CID 11589809) is 1,1,1,3,3,3-hexafluoro-2-[1-[[3-(hydroxymethyl)phenyl]methyl]-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-[[3-(hydroxymethyl)phenyl]methyl]-2-methyl-2,3-dihydroindol-5-yl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[1-[[3-(hydroxymethyl)phenyl]methyl]-2-methyl-2,3-dihydroindol-5-yl]propan-2-ol is CC1Cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1Cc1cccc(CO)c1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[1-[[3-(hydroxymethyl)phenyl]methyl]-2-methyl-2,3-dihydroindol-5-yl]propan-2-ol?
The InChIKey is SFHCXLALCZBFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F6NO2/c1-12-7-15-9-16(18(29,19(21,22)23)20(24,25)26)5-6-17(15)27(12)10-13-3-2-4-14(8-13)11-28/h2-6,8-9,12,28-29H,7,10-11H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[1-[[3-(hydroxymethyl)phenyl]methyl]-2-methyl-2,3-dihydroindol-5-yl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[1-[[3-(hydroxymethyl)phenyl]methyl]-2-methyl-2,3-dihydroindol-5-yl]propan-2-ol has a molecular weight of 419.37 g/mol, XLogP of 4.44, 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-[[3-(hydroxymethyl)phenyl]methyl]-2-methyl-2,3-dihydroindol-5-yl]propan-2-ol is sourced from PubChem (CID 11589809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).