6-chloro-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one

C9H5ClF3NO2 — CID 3462097

IUPAC6-chloro-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2C1(O)C(F)(F)F
InChIInChI=1S/C9H5ClF3NO2/c10-4-1-2-5-6(3-4)14-7(15)8(5,16)9(11,12)13/h1-3,16H,(H,14,15)
InChIKeyINBSFCYLNVVJAO-UHFFFAOYSA-N
MW251.59 g/mol
LogP2.04
Rot. Bonds

About 6-chloro-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one

6-chloro-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one (PubChem CID 3462097) has the molecular formula C9H5ClF3NO2 and a molecular weight of 251.59 g/mol. Its IUPAC name is 6-chloro-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name6-chloro-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one
PubChem CID3462097
Molecular FormulaC9H5ClF3NO2
Molecular Weight251.59 g/mol
Exact Mass251.00
IUPAC Name6-chloro-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2C1(O)C(F)(F)F
InChIInChI=1S/C9H5ClF3NO2/c10-4-1-2-5-6(3-4)14-7(15)8(5,16)9(11,12)13/h1-3,16H,(H,14,15)
InChIKeyINBSFCYLNVVJAO-UHFFFAOYSA-N
XLogP2.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.59
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of 6-chloro-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one (CID 3462097) is 6-chloro-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for 6-chloro-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for 6-chloro-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one is O=C1Nc2cc(Cl)ccc2C1(O)C(F)(F)F.
What is the InChIKey of 6-chloro-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is INBSFCYLNVVJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF3NO2/c10-4-1-2-5-6(3-4)14-7(15)8(5,16)9(11,12)13/h1-3,16H,(H,14,15).
What are the key properties of 6-chloro-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one?
6-chloro-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 251.59 g/mol, XLogP of 2.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 3462097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).