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

C12H10Cl2F3NO2 — CID 103210733

IUPAC6-chloro-5-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Cl)COCC(F)(F)F)c(Cl)cc2N1
InChIInChI=1S/C12H10Cl2F3NO2/c13-8-3-10-6(2-11(19)18-10)1-7(8)9(14)4-20-5-12(15,16)17/h1,3,9H,2,4-5H2,(H,18,19)
InChIKeyGAKHKUUXFFRCKV-UHFFFAOYSA-N
MW328.12 g/mol
LogP3.69
Rot. Bonds4

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

6-chloro-5-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroindol-2-one (PubChem CID 103210733) has the molecular formula C12H10Cl2F3NO2 and a molecular weight of 328.12 g/mol. Its IUPAC name is 6-chloro-5-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroindol-2-one
PubChem CID103210733
Molecular FormulaC12H10Cl2F3NO2
Molecular Weight328.12 g/mol
Exact Mass327.00
IUPAC Name6-chloro-5-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Cl)COCC(F)(F)F)c(Cl)cc2N1
InChIInChI=1S/C12H10Cl2F3NO2/c13-8-3-10-6(2-11(19)18-10)1-7(8)9(14)4-20-5-12(15,16)17/h1,3,9H,2,4-5H2,(H,18,19)
InChIKeyGAKHKUUXFFRCKV-UHFFFAOYSA-N
XLogP3.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.12
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroindol-2-one (CID 103210733) is 6-chloro-5-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(Cl)COCC(F)(F)F)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroindol-2-one?
The InChIKey is GAKHKUUXFFRCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2F3NO2/c13-8-3-10-6(2-11(19)18-10)1-7(8)9(14)4-20-5-12(15,16)17/h1,3,9H,2,4-5H2,(H,18,19).
What are the key properties of 6-chloro-5-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroindol-2-one?
6-chloro-5-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroindol-2-one has a molecular weight of 328.12 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 103210733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).