5-amino-7-(fluoromethyl)-1,3-dihydroindol-2-one

C9H9FN2O — CID 69465620

IUPAC5-amino-7-(fluoromethyl)-1,3-dihydroindol-2-one
SMILESNc1cc(CF)c2c(c1)CC(=O)N2
InChIInChI=1S/C9H9FN2O/c10-4-6-2-7(11)1-5-3-8(13)12-9(5)6/h1-2H,3-4,11H2,(H,12,13)
InChIKeyUBANLBQQMJXPDG-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.23
Rot. Bonds1

About 5-amino-7-(fluoromethyl)-1,3-dihydroindol-2-one

5-amino-7-(fluoromethyl)-1,3-dihydroindol-2-one (PubChem CID 69465620) has the molecular formula C9H9FN2O and a molecular weight of 180.18 g/mol. Its IUPAC name is 5-amino-7-(fluoromethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-7-(fluoromethyl)-1,3-dihydroindol-2-one
PubChem CID69465620
Molecular FormulaC9H9FN2O
Molecular Weight180.18 g/mol
Exact Mass180.07
IUPAC Name5-amino-7-(fluoromethyl)-1,3-dihydroindol-2-one
SMILESNc1cc(CF)c2c(c1)CC(=O)N2
InChIInChI=1S/C9H9FN2O/c10-4-6-2-7(11)1-5-3-8(13)12-9(5)6/h1-2H,3-4,11H2,(H,12,13)
InChIKeyUBANLBQQMJXPDG-UHFFFAOYSA-N
XLogP1.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-(aminomethyl)-5-fluoro-1,3-dihydroindol-2-one
CID 82190628
7-(aminomethyl)-5-bromo-1,3-dihydroindol-2-one
CID 82190668
7-ethyl-5-methyl-1,3-dihydroindol-2-one
CID 142337583
7-(2-aminoethyl)-5-methyl-1,3-dihydroindol-2-one
CID 82190531
5-fluoro-7-(piperazin-1-ylmethyl)-1,3-dihydroindol-2-one
CID 117376008
5-amino-6-ethyl-7-fluoro-1,3-dihydroindol-2-one
CID 69465743
5-tert-butyl-7-ethyl-1,3-dihydroindol-2-one
CID 134457828
7-(2-aminopropyl)-5-methyl-1,3-dihydroindol-2-one
CID 82190534
7-(4-aminobutyl)-5-chloro-1,3-dihydroindol-2-one
CID 82190651
7-[(1-hydroxycyclopropyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 117309426
4-[4-amino-2,6-bis(fluoromethyl)phenyl]-3,5-bis(fluoromethyl)aniline
CID 134226766
7-(2-aminoethyl)-1,3-dihydroindol-2-one
CID 82410863

Frequently Asked Questions

What is the IUPAC name of 5-amino-7-(fluoromethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-7-(fluoromethyl)-1,3-dihydroindol-2-one (CID 69465620) is 5-amino-7-(fluoromethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-7-(fluoromethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-7-(fluoromethyl)-1,3-dihydroindol-2-one is Nc1cc(CF)c2c(c1)CC(=O)N2.
What is the InChIKey of 5-amino-7-(fluoromethyl)-1,3-dihydroindol-2-one?
The InChIKey is UBANLBQQMJXPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O/c10-4-6-2-7(11)1-5-3-8(13)12-9(5)6/h1-2H,3-4,11H2,(H,12,13).
What are the key properties of 5-amino-7-(fluoromethyl)-1,3-dihydroindol-2-one?
5-amino-7-(fluoromethyl)-1,3-dihydroindol-2-one has a molecular weight of 180.18 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-(fluoromethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 69465620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).