6-chloro-5-[1-(methylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroindol-2-one

C13H14ClF3N2O2 — CID 103207271

IUPAC6-chloro-5-[1-(methylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroindol-2-one
SMILESCNC(COCC(F)(F)F)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C13H14ClF3N2O2/c1-18-11(5-21-6-13(15,16)17)8-2-7-3-12(20)19-10(7)4-9(8)14/h2,4,11,18H,3,5-6H2,1H3,(H,19,20)
InChIKeyJBFFTVJPADYHFT-UHFFFAOYSA-N
MW322.71 g/mol
LogP2.67
Rot. Bonds5

About 6-chloro-5-[1-(methylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroindol-2-one

6-chloro-5-[1-(methylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroindol-2-one (PubChem CID 103207271) has the molecular formula C13H14ClF3N2O2 and a molecular weight of 322.71 g/mol. Its IUPAC name is 6-chloro-5-[1-(methylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[1-(methylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroindol-2-one
PubChem CID103207271
Molecular FormulaC13H14ClF3N2O2
Molecular Weight322.71 g/mol
Exact Mass322.07
IUPAC Name6-chloro-5-[1-(methylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroindol-2-one
SMILESCNC(COCC(F)(F)F)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C13H14ClF3N2O2/c1-18-11(5-21-6-13(15,16)17)8-2-7-3-12(20)19-10(7)4-9(8)14/h2,4,11,18H,3,5-6H2,1H3,(H,19,20)
InChIKeyJBFFTVJPADYHFT-UHFFFAOYSA-N
XLogP2.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.71
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[1-(methylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[1-(methylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroindol-2-one (CID 103207271) is 6-chloro-5-[1-(methylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[1-(methylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[1-(methylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroindol-2-one is CNC(COCC(F)(F)F)c1cc2c(cc1Cl)NC(=O)C2.
What is the InChIKey of 6-chloro-5-[1-(methylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroindol-2-one?
The InChIKey is JBFFTVJPADYHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O2/c1-18-11(5-21-6-13(15,16)17)8-2-7-3-12(20)19-10(7)4-9(8)14/h2,4,11,18H,3,5-6H2,1H3,(H,19,20).
What are the key properties of 6-chloro-5-[1-(methylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroindol-2-one?
6-chloro-5-[1-(methylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroindol-2-one has a molecular weight of 322.71 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[1-(methylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 103207271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).