3-amino-5-bromo-6-(3,3,3-trifluoropropoxy)-1,3-dihydroindol-2-one

C11H10BrF3N2O2 — CID 82955288

IUPAC3-amino-5-bromo-6-(3,3,3-trifluoropropoxy)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(OCCC(F)(F)F)c(Br)cc21
InChIInChI=1S/C11H10BrF3N2O2/c12-6-3-5-7(17-10(18)9(5)16)4-8(6)19-2-1-11(13,14)15/h3-4,9H,1-2,16H2,(H,17,18)
InChIKeyBDWHYWZWOUZFNQ-UHFFFAOYSA-N
MW339.11 g/mol
LogP2.73
Rot. Bonds3

About 3-amino-5-bromo-6-(3,3,3-trifluoropropoxy)-1,3-dihydroindol-2-one

3-amino-5-bromo-6-(3,3,3-trifluoropropoxy)-1,3-dihydroindol-2-one (PubChem CID 82955288) has the molecular formula C11H10BrF3N2O2 and a molecular weight of 339.11 g/mol. Its IUPAC name is 3-amino-5-bromo-6-(3,3,3-trifluoropropoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-bromo-6-(3,3,3-trifluoropropoxy)-1,3-dihydroindol-2-one
PubChem CID82955288
Molecular FormulaC11H10BrF3N2O2
Molecular Weight339.11 g/mol
Exact Mass337.99
IUPAC Name3-amino-5-bromo-6-(3,3,3-trifluoropropoxy)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(OCCC(F)(F)F)c(Br)cc21
InChIInChI=1S/C11H10BrF3N2O2/c12-6-3-5-7(17-10(18)9(5)16)4-8(6)19-2-1-11(13,14)15/h3-4,9H,1-2,16H2,(H,17,18)
InChIKeyBDWHYWZWOUZFNQ-UHFFFAOYSA-N
XLogP2.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.11
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-6-(3,3,3-trifluoropropoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-bromo-6-(3,3,3-trifluoropropoxy)-1,3-dihydroindol-2-one (CID 82955288) is 3-amino-5-bromo-6-(3,3,3-trifluoropropoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-bromo-6-(3,3,3-trifluoropropoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-bromo-6-(3,3,3-trifluoropropoxy)-1,3-dihydroindol-2-one is NC1C(=O)Nc2cc(OCCC(F)(F)F)c(Br)cc21.
What is the InChIKey of 3-amino-5-bromo-6-(3,3,3-trifluoropropoxy)-1,3-dihydroindol-2-one?
The InChIKey is BDWHYWZWOUZFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N2O2/c12-6-3-5-7(17-10(18)9(5)16)4-8(6)19-2-1-11(13,14)15/h3-4,9H,1-2,16H2,(H,17,18).
What are the key properties of 3-amino-5-bromo-6-(3,3,3-trifluoropropoxy)-1,3-dihydroindol-2-one?
3-amino-5-bromo-6-(3,3,3-trifluoropropoxy)-1,3-dihydroindol-2-one has a molecular weight of 339.11 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-6-(3,3,3-trifluoropropoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 82955288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).