3-amino-7-(trifluoromethyl)-1,3-dihydroindol-2-one

C9H7F3N2O — CID 53211527

IUPAC3-amino-7-(trifluoromethyl)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2c1cccc2C(F)(F)F
InChIInChI=1S/C9H7F3N2O/c10-9(11,12)5-3-1-2-4-6(13)8(15)14-7(4)5/h1-3,6H,13H2,(H,14,15)
InChIKeyFRCSTQYEIKHJFQ-UHFFFAOYSA-N
MW216.16 g/mol
LogP1.66
Rot. Bonds

About 3-amino-7-(trifluoromethyl)-1,3-dihydroindol-2-one

3-amino-7-(trifluoromethyl)-1,3-dihydroindol-2-one (PubChem CID 53211527) has the molecular formula C9H7F3N2O and a molecular weight of 216.16 g/mol. Its IUPAC name is 3-amino-7-(trifluoromethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-7-(trifluoromethyl)-1,3-dihydroindol-2-one
PubChem CID53211527
Molecular FormulaC9H7F3N2O
Molecular Weight216.16 g/mol
Exact Mass216.05
IUPAC Name3-amino-7-(trifluoromethyl)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2c1cccc2C(F)(F)F
InChIInChI=1S/C9H7F3N2O/c10-9(11,12)5-3-1-2-4-6(13)8(15)14-7(4)5/h1-3,6H,13H2,(H,14,15)
InChIKeyFRCSTQYEIKHJFQ-UHFFFAOYSA-N
XLogP1.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-7-(trifluoromethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-7-(trifluoromethyl)-1,3-dihydroindol-2-one (CID 53211527) is 3-amino-7-(trifluoromethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-7-(trifluoromethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-7-(trifluoromethyl)-1,3-dihydroindol-2-one is NC1C(=O)Nc2c1cccc2C(F)(F)F.
What is the InChIKey of 3-amino-7-(trifluoromethyl)-1,3-dihydroindol-2-one?
The InChIKey is FRCSTQYEIKHJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O/c10-9(11,12)5-3-1-2-4-6(13)8(15)14-7(4)5/h1-3,6H,13H2,(H,14,15).
What are the key properties of 3-amino-7-(trifluoromethyl)-1,3-dihydroindol-2-one?
3-amino-7-(trifluoromethyl)-1,3-dihydroindol-2-one has a molecular weight of 216.16 g/mol, XLogP of 1.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-(trifluoromethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 53211527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).