5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1H-indole-2,3-dione

C11H5F6NO3 — CID 87671246

IUPAC5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2C1=O
InChIInChI=1S/C11H5F6NO3/c12-10(13,14)9(21,11(15,16)17)4-1-2-6-5(3-4)7(19)8(20)18-6/h1-3,21H,(H,18,19,20)
InChIKeyDRKPQNFIJXAMRB-UHFFFAOYSA-N
MW313.15 g/mol
LogP2.13
Rot. Bonds1

About 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1H-indole-2,3-dione

5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1H-indole-2,3-dione (PubChem CID 87671246) has the molecular formula C11H5F6NO3 and a molecular weight of 313.15 g/mol. Its IUPAC name is 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1H-indole-2,3-dione
PubChem CID87671246
Molecular FormulaC11H5F6NO3
Molecular Weight313.15 g/mol
Exact Mass313.02
IUPAC Name5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2C1=O
InChIInChI=1S/C11H5F6NO3/c12-10(13,14)9(21,11(15,16)17)4-1-2-6-5(3-4)7(19)8(20)18-6/h1-3,21H,(H,18,19,20)
InChIKeyDRKPQNFIJXAMRB-UHFFFAOYSA-N
XLogP2.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1H-indole-2,3-dione?
The IUPAC name of 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1H-indole-2,3-dione (CID 87671246) is 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1H-indole-2,3-dione.
What is the SMILES notation for 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1H-indole-2,3-dione?
The canonical SMILES for 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1H-indole-2,3-dione is O=C1Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2C1=O.
What is the InChIKey of 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1H-indole-2,3-dione?
The InChIKey is DRKPQNFIJXAMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F6NO3/c12-10(13,14)9(21,11(15,16)17)4-1-2-6-5(3-4)7(19)8(20)18-6/h1-3,21H,(H,18,19,20).
What are the key properties of 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1H-indole-2,3-dione?
5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1H-indole-2,3-dione has a molecular weight of 313.15 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1H-indole-2,3-dione is sourced from PubChem (CID 87671246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).