5-chloro-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one

C12H11ClF3NO — CID 102103909

IUPAC5-chloro-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one
SMILESCN1C(=O)C(C)(CC(F)(F)F)c2cc(Cl)ccc21
InChIInChI=1S/C12H11ClF3NO/c1-11(6-12(14,15)16)8-5-7(13)3-4-9(8)17(2)10(11)18/h3-5H,6H2,1-2H3
InChIKeyGACXBUXLXLMELO-UHFFFAOYSA-N
MW277.67 g/mol
LogP3.53
Rot. Bonds1

About 5-chloro-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one

5-chloro-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one (PubChem CID 102103909) has the molecular formula C12H11ClF3NO and a molecular weight of 277.67 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one
PubChem CID102103909
Molecular FormulaC12H11ClF3NO
Molecular Weight277.67 g/mol
Exact Mass277.05
IUPAC Name5-chloro-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one
SMILESCN1C(=O)C(C)(CC(F)(F)F)c2cc(Cl)ccc21
InChIInChI=1S/C12H11ClF3NO/c1-11(6-12(14,15)16)8-5-7(13)3-4-9(8)17(2)10(11)18/h3-5H,6H2,1-2H3
InChIKeyGACXBUXLXLMELO-UHFFFAOYSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.67
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one?
The IUPAC name of 5-chloro-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one (CID 102103909) is 5-chloro-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one.
What is the SMILES notation for 5-chloro-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one?
The canonical SMILES for 5-chloro-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one is CN1C(=O)C(C)(CC(F)(F)F)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one?
The InChIKey is GACXBUXLXLMELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3NO/c1-11(6-12(14,15)16)8-5-7(13)3-4-9(8)17(2)10(11)18/h3-5H,6H2,1-2H3.
What are the key properties of 5-chloro-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one?
5-chloro-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one has a molecular weight of 277.67 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-3-(2,2,2-trifluoroethyl)indol-2-one is sourced from PubChem (CID 102103909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).