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

C23H19F6NO — CID 21082171

IUPAC1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(naphthalen-2-ylmethyl)-2,3-dihydroindol-5-yl]propan-2-ol
SMILESCC1Cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1Cc1ccc2ccccc2c1
InChIInChI=1S/C23H19F6NO/c1-14-10-18-12-19(21(31,22(24,25)26)23(27,28)29)8-9-20(18)30(14)13-15-6-7-16-4-2-3-5-17(16)11-15/h2-9,11-12,14,31H,10,13H2,1H3
InChIKeyCNFPEEOTHVQVHL-UHFFFAOYSA-N
MW439.40 g/mol
LogP6.10
Rot. Bonds3

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

1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(naphthalen-2-ylmethyl)-2,3-dihydroindol-5-yl]propan-2-ol (PubChem CID 21082171) has the molecular formula C23H19F6NO and a molecular weight of 439.40 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(naphthalen-2-ylmethyl)-2,3-dihydroindol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(naphthalen-2-ylmethyl)-2,3-dihydroindol-5-yl]propan-2-ol
PubChem CID21082171
Molecular FormulaC23H19F6NO
Molecular Weight439.40 g/mol
Exact Mass439.14
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(naphthalen-2-ylmethyl)-2,3-dihydroindol-5-yl]propan-2-ol
SMILESCC1Cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1Cc1ccc2ccccc2c1
InChIInChI=1S/C23H19F6NO/c1-14-10-18-12-19(21(31,22(24,25)26)23(27,28)29)8-9-20(18)30(14)13-15-6-7-16-4-2-3-5-17(16)11-15/h2-9,11-12,14,31H,10,13H2,1H3
InChIKeyCNFPEEOTHVQVHL-UHFFFAOYSA-N
XLogP6.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.40
LogP ≤ 56.10
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-(naphthalen-2-ylmethyl)-2,3-dihydroindol-5-yl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(naphthalen-2-ylmethyl)-2,3-dihydroindol-5-yl]propan-2-ol (CID 21082171) is 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(naphthalen-2-ylmethyl)-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-(naphthalen-2-ylmethyl)-2,3-dihydroindol-5-yl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(naphthalen-2-ylmethyl)-2,3-dihydroindol-5-yl]propan-2-ol is CC1Cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1Cc1ccc2ccccc2c1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(naphthalen-2-ylmethyl)-2,3-dihydroindol-5-yl]propan-2-ol?
The InChIKey is CNFPEEOTHVQVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F6NO/c1-14-10-18-12-19(21(31,22(24,25)26)23(27,28)29)8-9-20(18)30(14)13-15-6-7-16-4-2-3-5-17(16)11-15/h2-9,11-12,14,31H,10,13H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(naphthalen-2-ylmethyl)-2,3-dihydroindol-5-yl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(naphthalen-2-ylmethyl)-2,3-dihydroindol-5-yl]propan-2-ol has a molecular weight of 439.40 g/mol, XLogP of 6.10, 3 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-(naphthalen-2-ylmethyl)-2,3-dihydroindol-5-yl]propan-2-ol is sourced from PubChem (CID 21082171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).