3-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-fluoro-6-(fluoromethyl)-1H-indol-2-one

C17H11ClF5NO2 — CID 10200492

IUPAC3-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-fluoro-6-(fluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2cc(CF)ccc2C1(F)c1cc(Cl)ccc1OCC(F)(F)F
InChIInChI=1S/C17H11ClF5NO2/c18-10-2-4-14(26-8-16(20,21)22)12(6-10)17(23)11-3-1-9(7-19)5-13(11)24-15(17)25/h1-6H,7-8H2,(H,24,25)
InChIKeyZQRQRKWFXYLOQL-UHFFFAOYSA-N
MW391.72 g/mol
LogP4.92
Rot. Bonds4

About 3-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-fluoro-6-(fluoromethyl)-1H-indol-2-one

3-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-fluoro-6-(fluoromethyl)-1H-indol-2-one (PubChem CID 10200492) has the molecular formula C17H11ClF5NO2 and a molecular weight of 391.72 g/mol. Its IUPAC name is 3-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-fluoro-6-(fluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-fluoro-6-(fluoromethyl)-1H-indol-2-one
PubChem CID10200492
Molecular FormulaC17H11ClF5NO2
Molecular Weight391.72 g/mol
Exact Mass391.04
IUPAC Name3-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-fluoro-6-(fluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2cc(CF)ccc2C1(F)c1cc(Cl)ccc1OCC(F)(F)F
InChIInChI=1S/C17H11ClF5NO2/c18-10-2-4-14(26-8-16(20,21)22)12(6-10)17(23)11-3-1-9(7-19)5-13(11)24-15(17)25/h1-6H,7-8H2,(H,24,25)
InChIKeyZQRQRKWFXYLOQL-UHFFFAOYSA-N
XLogP4.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.72
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-fluoro-6-(fluoromethyl)-1H-indol-2-one?
The IUPAC name of 3-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-fluoro-6-(fluoromethyl)-1H-indol-2-one (CID 10200492) is 3-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-fluoro-6-(fluoromethyl)-1H-indol-2-one.
What is the SMILES notation for 3-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-fluoro-6-(fluoromethyl)-1H-indol-2-one?
The canonical SMILES for 3-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-fluoro-6-(fluoromethyl)-1H-indol-2-one is O=C1Nc2cc(CF)ccc2C1(F)c1cc(Cl)ccc1OCC(F)(F)F.
What is the InChIKey of 3-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-fluoro-6-(fluoromethyl)-1H-indol-2-one?
The InChIKey is ZQRQRKWFXYLOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF5NO2/c18-10-2-4-14(26-8-16(20,21)22)12(6-10)17(23)11-3-1-9(7-19)5-13(11)24-15(17)25/h1-6H,7-8H2,(H,24,25).
What are the key properties of 3-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-fluoro-6-(fluoromethyl)-1H-indol-2-one?
3-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-fluoro-6-(fluoromethyl)-1H-indol-2-one has a molecular weight of 391.72 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-fluoro-6-(fluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 10200492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).