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

C25H21F6NO — CID 11719645

IUPAC1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[(3-phenylphenyl)methyl]-2,3-dihydroindol-5-yl]propan-2-ol
SMILESCC1Cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C25H21F6NO/c1-16-12-20-14-21(23(33,24(26,27)28)25(29,30)31)10-11-22(20)32(16)15-17-6-5-9-19(13-17)18-7-3-2-4-8-18/h2-11,13-14,16,33H,12,15H2,1H3
InChIKeyMJDWMBGXHMUIRM-UHFFFAOYSA-N
MW465.44 g/mol
LogP6.62
Rot. Bonds4

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

1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[(3-phenylphenyl)methyl]-2,3-dihydroindol-5-yl]propan-2-ol (PubChem CID 11719645) has the molecular formula C25H21F6NO and a molecular weight of 465.44 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[(3-phenylphenyl)methyl]-2,3-dihydroindol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[(3-phenylphenyl)methyl]-2,3-dihydroindol-5-yl]propan-2-ol
PubChem CID11719645
Molecular FormulaC25H21F6NO
Molecular Weight465.44 g/mol
Exact Mass465.15
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[(3-phenylphenyl)methyl]-2,3-dihydroindol-5-yl]propan-2-ol
SMILESCC1Cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C25H21F6NO/c1-16-12-20-14-21(23(33,24(26,27)28)25(29,30)31)10-11-22(20)32(16)15-17-6-5-9-19(13-17)18-7-3-2-4-8-18/h2-11,13-14,16,33H,12,15H2,1H3
InChIKeyMJDWMBGXHMUIRM-UHFFFAOYSA-N
XLogP6.62
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 ≤ 56.62
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-[(3-phenylphenyl)methyl]-2,3-dihydroindol-5-yl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[(3-phenylphenyl)methyl]-2,3-dihydroindol-5-yl]propan-2-ol (CID 11719645) is 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[(3-phenylphenyl)methyl]-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-[(3-phenylphenyl)methyl]-2,3-dihydroindol-5-yl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[(3-phenylphenyl)methyl]-2,3-dihydroindol-5-yl]propan-2-ol is CC1Cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[(3-phenylphenyl)methyl]-2,3-dihydroindol-5-yl]propan-2-ol?
The InChIKey is MJDWMBGXHMUIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F6NO/c1-16-12-20-14-21(23(33,24(26,27)28)25(29,30)31)10-11-22(20)32(16)15-17-6-5-9-19(13-17)18-7-3-2-4-8-18/h2-11,13-14,16,33H,12,15H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[(3-phenylphenyl)methyl]-2,3-dihydroindol-5-yl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[(3-phenylphenyl)methyl]-2,3-dihydroindol-5-yl]propan-2-ol has a molecular weight of 465.44 g/mol, XLogP of 6.62, 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-[(3-phenylphenyl)methyl]-2,3-dihydroindol-5-yl]propan-2-ol is sourced from PubChem (CID 11719645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).