6,7-difluoro-2-(1H-indol-3-yl)-1,3-dihydroindol-2-ol

C16H12F2N2O — CID 174442573

IUPAC6,7-difluoro-2-(1H-indol-3-yl)-1,3-dihydroindol-2-ol
SMILESOC1(c2c[nH]c3ccccc23)Cc2ccc(F)c(F)c2N1
InChIInChI=1S/C16H12F2N2O/c17-12-6-5-9-7-16(21,20-15(9)14(12)18)11-8-19-13-4-2-1-3-10(11)13/h1-6,8,19-21H,7H2
InChIKeyOOODFBDSNYLACO-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.26
Rot. Bonds1

About 6,7-difluoro-2-(1H-indol-3-yl)-1,3-dihydroindol-2-ol

6,7-difluoro-2-(1H-indol-3-yl)-1,3-dihydroindol-2-ol (PubChem CID 174442573) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is 6,7-difluoro-2-(1H-indol-3-yl)-1,3-dihydroindol-2-ol.

Molecular Properties

Compound Name6,7-difluoro-2-(1H-indol-3-yl)-1,3-dihydroindol-2-ol
PubChem CID174442573
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC Name6,7-difluoro-2-(1H-indol-3-yl)-1,3-dihydroindol-2-ol
SMILESOC1(c2c[nH]c3ccccc23)Cc2ccc(F)c(F)c2N1
InChIInChI=1S/C16H12F2N2O/c17-12-6-5-9-7-16(21,20-15(9)14(12)18)11-8-19-13-4-2-1-3-10(11)13/h1-6,8,19-21H,7H2
InChIKeyOOODFBDSNYLACO-UHFFFAOYSA-N
XLogP3.26
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 113209255
[1-(1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanol
CID 116842664
(2,3-difluorophenyl)-(1H-indol-3-yl)methanone
CID 62648503
(3S)-3-hydroxy-3-(1H-indol-3-yl)-1H-indol-2-one
CID 757506
N-(4-chlorophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209189
ethane;[1-(1H-indol-3-yl)cyclopropyl]methanamine
CID 159069082
3-(2,3,5-triphenyl-4H-pyrazol-3-yl)-1H-indole
CID 134948076
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]butanamide
CID 113084659
1-(1H-indol-3-yl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 116842313
(2S)-2-(4-fluorophenyl)-1-hydroxy-2-(1H-indol-3-yl)indol-3-one
CID 135032572
(2S)-2-(1H-indol-3-yl)pyrrolidine-2-carboxylic acid
CID 67713185
1-(1H-indol-3-yl)-N-prop-2-enylcyclopropane-1-carboxamide
CID 113209076

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-2-(1H-indol-3-yl)-1,3-dihydroindol-2-ol?
The IUPAC name of 6,7-difluoro-2-(1H-indol-3-yl)-1,3-dihydroindol-2-ol (CID 174442573) is 6,7-difluoro-2-(1H-indol-3-yl)-1,3-dihydroindol-2-ol.
What is the SMILES notation for 6,7-difluoro-2-(1H-indol-3-yl)-1,3-dihydroindol-2-ol?
The canonical SMILES for 6,7-difluoro-2-(1H-indol-3-yl)-1,3-dihydroindol-2-ol is OC1(c2c[nH]c3ccccc23)Cc2ccc(F)c(F)c2N1.
What is the InChIKey of 6,7-difluoro-2-(1H-indol-3-yl)-1,3-dihydroindol-2-ol?
The InChIKey is OOODFBDSNYLACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c17-12-6-5-9-7-16(21,20-15(9)14(12)18)11-8-19-13-4-2-1-3-10(11)13/h1-6,8,19-21H,7H2.
What are the key properties of 6,7-difluoro-2-(1H-indol-3-yl)-1,3-dihydroindol-2-ol?
6,7-difluoro-2-(1H-indol-3-yl)-1,3-dihydroindol-2-ol has a molecular weight of 286.28 g/mol, XLogP of 3.26, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-2-(1H-indol-3-yl)-1,3-dihydroindol-2-ol is sourced from PubChem (CID 174442573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).