2-(1-benzyl-2-methyl-2,3-dihydroindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C19H17F6NO — CID 11552835

IUPAC2-(1-benzyl-2-methyl-2,3-dihydroindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCC1Cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1Cc1ccccc1
InChIInChI=1S/C19H17F6NO/c1-12-9-14-10-15(17(27,18(20,21)22)19(23,24)25)7-8-16(14)26(12)11-13-5-3-2-4-6-13/h2-8,10,12,27H,9,11H2,1H3
InChIKeyZZKQZTUUVCGZGA-UHFFFAOYSA-N
MW389.34 g/mol
LogP4.95
Rot. Bonds3

About 2-(1-benzyl-2-methyl-2,3-dihydroindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(1-benzyl-2-methyl-2,3-dihydroindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 11552835) has the molecular formula C19H17F6NO and a molecular weight of 389.34 g/mol. Its IUPAC name is 2-(1-benzyl-2-methyl-2,3-dihydroindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(1-benzyl-2-methyl-2,3-dihydroindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID11552835
Molecular FormulaC19H17F6NO
Molecular Weight389.34 g/mol
Exact Mass389.12
IUPAC Name2-(1-benzyl-2-methyl-2,3-dihydroindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCC1Cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1Cc1ccccc1
InChIInChI=1S/C19H17F6NO/c1-12-9-14-10-15(17(27,18(20,21)22)19(23,24)25)7-8-16(14)26(12)11-13-5-3-2-4-6-13/h2-8,10,12,27H,9,11H2,1H3
InChIKeyZZKQZTUUVCGZGA-UHFFFAOYSA-N
XLogP4.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 54.95
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 2-(1-benzyl-2-methyl-2,3-dihydroindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(1-benzyl-2-methyl-2,3-dihydroindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 11552835) is 2-(1-benzyl-2-methyl-2,3-dihydroindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(1-benzyl-2-methyl-2,3-dihydroindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(1-benzyl-2-methyl-2,3-dihydroindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is CC1Cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-2-methyl-2,3-dihydroindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is ZZKQZTUUVCGZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F6NO/c1-12-9-14-10-15(17(27,18(20,21)22)19(23,24)25)7-8-16(14)26(12)11-13-5-3-2-4-6-13/h2-8,10,12,27H,9,11H2,1H3.
What are the key properties of 2-(1-benzyl-2-methyl-2,3-dihydroindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(1-benzyl-2-methyl-2,3-dihydroindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 389.34 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-2-methyl-2,3-dihydroindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 11552835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).