3-amino-5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one

C11H10ClF3N2O2 — CID 79335987

IUPAC3-amino-5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one
SMILESCC(Oc1cc2c(cc1Cl)C(N)C(=O)N2)C(F)(F)F
InChIInChI=1S/C11H10ClF3N2O2/c1-4(11(13,14)15)19-8-3-7-5(2-6(8)12)9(16)10(18)17-7/h2-4,9H,16H2,1H3,(H,17,18)
InChIKeyQHVYIQMCKGDRAB-UHFFFAOYSA-N
MW294.66 g/mol
LogP2.62
Rot. Bonds2

About 3-amino-5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one

3-amino-5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one (PubChem CID 79335987) has the molecular formula C11H10ClF3N2O2 and a molecular weight of 294.66 g/mol. Its IUPAC name is 3-amino-5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one
PubChem CID79335987
Molecular FormulaC11H10ClF3N2O2
Molecular Weight294.66 g/mol
Exact Mass294.04
IUPAC Name3-amino-5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one
SMILESCC(Oc1cc2c(cc1Cl)C(N)C(=O)N2)C(F)(F)F
InChIInChI=1S/C11H10ClF3N2O2/c1-4(11(13,14)15)19-8-3-7-5(2-6(8)12)9(16)10(18)17-7/h2-4,9H,16H2,1H3,(H,17,18)
InChIKeyQHVYIQMCKGDRAB-UHFFFAOYSA-N
XLogP2.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.66
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one (CID 79335987) is 3-amino-5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one is CC(Oc1cc2c(cc1Cl)C(N)C(=O)N2)C(F)(F)F.
What is the InChIKey of 3-amino-5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one?
The InChIKey is QHVYIQMCKGDRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O2/c1-4(11(13,14)15)19-8-3-7-5(2-6(8)12)9(16)10(18)17-7/h2-4,9H,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one?
3-amino-5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one has a molecular weight of 294.66 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79335987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).