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

C20H19F6NO — CID 11704095

IUPAC1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(2-phenylethyl)-2,3-dihydroindol-5-yl]propan-2-ol
SMILESCC1Cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1CCc1ccccc1
InChIInChI=1S/C20H19F6NO/c1-13-11-15-12-16(18(28,19(21,22)23)20(24,25)26)7-8-17(15)27(13)10-9-14-5-3-2-4-6-14/h2-8,12-13,28H,9-11H2,1H3
InChIKeyINFCTDFNLXZUQV-UHFFFAOYSA-N
MW403.37 g/mol
LogP4.99
Rot. Bonds4

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

1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(2-phenylethyl)-2,3-dihydroindol-5-yl]propan-2-ol (PubChem CID 11704095) has the molecular formula C20H19F6NO and a molecular weight of 403.37 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(2-phenylethyl)-2,3-dihydroindol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(2-phenylethyl)-2,3-dihydroindol-5-yl]propan-2-ol
PubChem CID11704095
Molecular FormulaC20H19F6NO
Molecular Weight403.37 g/mol
Exact Mass403.14
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(2-phenylethyl)-2,3-dihydroindol-5-yl]propan-2-ol
SMILESCC1Cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1CCc1ccccc1
InChIInChI=1S/C20H19F6NO/c1-13-11-15-12-16(18(28,19(21,22)23)20(24,25)26)7-8-17(15)27(13)10-9-14-5-3-2-4-6-14/h2-8,12-13,28H,9-11H2,1H3
InChIKeyINFCTDFNLXZUQV-UHFFFAOYSA-N
XLogP4.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.37
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[2-methyl-1-(2-phenylethyl)-2,3-dihydroindol-5-yl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(2-phenylethyl)-2,3-dihydroindol-5-yl]propan-2-ol (CID 11704095) is 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(2-phenylethyl)-2,3-dihydroindol-5-yl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(2-phenylethyl)-2,3-dihydroindol-5-yl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(2-phenylethyl)-2,3-dihydroindol-5-yl]propan-2-ol is CC1Cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1CCc1ccccc1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(2-phenylethyl)-2,3-dihydroindol-5-yl]propan-2-ol?
The InChIKey is INFCTDFNLXZUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F6NO/c1-13-11-15-12-16(18(28,19(21,22)23)20(24,25)26)7-8-17(15)27(13)10-9-14-5-3-2-4-6-14/h2-8,12-13,28H,9-11H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(2-phenylethyl)-2,3-dihydroindol-5-yl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(2-phenylethyl)-2,3-dihydroindol-5-yl]propan-2-ol has a molecular weight of 403.37 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(2-phenylethyl)-2,3-dihydroindol-5-yl]propan-2-ol is sourced from PubChem (CID 11704095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).