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

C25H21F6NO — CID 11568911

IUPAC2-(1-benzhydryl-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)ccc2N1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21F6NO/c1-16-14-19-15-20(23(33,24(26,27)28)25(29,30)31)12-13-21(19)32(16)22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,15-16,22,33H,14H2,1H3
InChIKeyFLIXDTLXVOFAJF-UHFFFAOYSA-N
MW465.44 g/mol
LogP6.54
Rot. Bonds4

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

2-(1-benzhydryl-2-methyl-2,3-dihydroindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 11568911) has the molecular formula C25H21F6NO and a molecular weight of 465.44 g/mol. Its IUPAC name is 2-(1-benzhydryl-2-methyl-2,3-dihydroindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(1-benzhydryl-2-methyl-2,3-dihydroindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID11568911
Molecular FormulaC25H21F6NO
Molecular Weight465.44 g/mol
Exact Mass465.15
IUPAC Name2-(1-benzhydryl-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)ccc2N1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21F6NO/c1-16-14-19-15-20(23(33,24(26,27)28)25(29,30)31)12-13-21(19)32(16)22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,15-16,22,33H,14H2,1H3
InChIKeyFLIXDTLXVOFAJF-UHFFFAOYSA-N
XLogP6.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.44
LogP ≤ 56.54
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-benzhydryl-2-methyl-2,3-dihydroindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(1-benzhydryl-2-methyl-2,3-dihydroindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 11568911) is 2-(1-benzhydryl-2-methyl-2,3-dihydroindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(1-benzhydryl-2-methyl-2,3-dihydroindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(1-benzhydryl-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)ccc2N1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1-benzhydryl-2-methyl-2,3-dihydroindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is FLIXDTLXVOFAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F6NO/c1-16-14-19-15-20(23(33,24(26,27)28)25(29,30)31)12-13-21(19)32(16)22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,15-16,22,33H,14H2,1H3.
What are the key properties of 2-(1-benzhydryl-2-methyl-2,3-dihydroindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(1-benzhydryl-2-methyl-2,3-dihydroindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 465.44 g/mol, XLogP of 6.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzhydryl-2-methyl-2,3-dihydroindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 11568911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).