3-nitroso-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol

C16H11F3N2O2 — CID 2766666

IUPAC3-nitroso-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol
SMILESO=Nc1c(O)n(Cc2cccc(C(F)(F)F)c2)c2ccccc12
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)11-5-3-4-10(8-11)9-21-13-7-2-1-6-12(13)14(20-23)15(21)22/h1-8,22H,9H2
InChIKeyOGWLGDJMTQWHFG-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.81
Rot. Bonds3

About 3-nitroso-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol

3-nitroso-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol (PubChem CID 2766666) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 3-nitroso-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol.

Molecular Properties

Compound Name3-nitroso-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol
PubChem CID2766666
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name3-nitroso-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol
SMILESO=Nc1c(O)n(Cc2cccc(C(F)(F)F)c2)c2ccccc12
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)11-5-3-4-10(8-11)9-21-13-7-2-1-6-12(13)14(20-23)15(21)22/h1-8,22H,9H2
InChIKeyOGWLGDJMTQWHFG-UHFFFAOYSA-N
XLogP4.81
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-3-(phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 2767481
(3Z)-3-[(2-hydroxyphenyl)hydrazinylidene]-1-prop-2-enylindol-2-one
CID 135857069
(E)-1-benzyl-3-(hydroxyimino)indolin-2-one
CID 921636
(3Z)-5-Methyl-1H-indole-2,3-dione 3-oxime
CID 583072
(3Z)-7-Methyl-1H-indole-2,3-dione 3-oxime
CID 600593
(Z)-3-(Hydroxyimino)-1-methylindolin-2-one
CID 18631
Isatin-3-oxime
CID 69084
1-Ethyl-3-hydrazono-1,3-dihydro-indol-2-one
CID 2386107
4-((5-Fluoro-3-(hydroxyimino)-2-oxoindolin-1-yl)methyl)-N-hydroxybenzamide (6b)
CID 137224532
7-Fluoro-3-(hydroxyimino)indolin-2-one
CID 750687
1-Allyl-5-methyl-1H-indole-2,3-dione 3-oxime
CID 794261
1-Allyl-3-(phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 3101769

Frequently Asked Questions

What is the IUPAC name of 3-nitroso-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol?
The IUPAC name of 3-nitroso-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol (CID 2766666) is 3-nitroso-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol.
What is the SMILES notation for 3-nitroso-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol?
The canonical SMILES for 3-nitroso-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol is O=Nc1c(O)n(Cc2cccc(C(F)(F)F)c2)c2ccccc12.
What is the InChIKey of 3-nitroso-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol?
The InChIKey is OGWLGDJMTQWHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c17-16(18,19)11-5-3-4-10(8-11)9-21-13-7-2-1-6-12(13)14(20-23)15(21)22/h1-8,22H,9H2.
What are the key properties of 3-nitroso-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol?
3-nitroso-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol has a molecular weight of 320.27 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitroso-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-ol is sourced from PubChem (CID 2766666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).