6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one

C11H7F6NO2 — CID 14076672

IUPAC6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2N1
InChIInChI=1S/C11H7F6NO2/c12-10(13,14)9(20,11(15,16)17)6-2-1-5-3-8(19)18-7(5)4-6/h1-2,4,20H,3H2,(H,18,19)
InChIKeyBBZMDYOLJZACFA-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.49
Rot. Bonds1

About 6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one

6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one (PubChem CID 14076672) has the molecular formula C11H7F6NO2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one
PubChem CID14076672
Molecular FormulaC11H7F6NO2
Molecular Weight299.17 g/mol
Exact Mass299.04
IUPAC Name6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2N1
InChIInChI=1S/C11H7F6NO2/c12-10(13,14)9(20,11(15,16)17)6-2-1-5-3-8(19)18-7(5)4-6/h1-2,4,20H,3H2,(H,18,19)
InChIKeyBBZMDYOLJZACFA-UHFFFAOYSA-N
XLogP2.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one (CID 14076672) is 6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one is O=C1Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2N1.
What is the InChIKey of 6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one?
The InChIKey is BBZMDYOLJZACFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F6NO2/c12-10(13,14)9(20,11(15,16)17)6-2-1-5-3-8(19)18-7(5)4-6/h1-2,4,20H,3H2,(H,18,19).
What are the key properties of 6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one?
6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one has a molecular weight of 299.17 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 14076672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).