5,6-diamino-1-(2-fluoro-2-methylpropyl)-3,3-dimethylindol-2-one

C14H20FN3O — CID 143135895

IUPAC5,6-diamino-1-(2-fluoro-2-methylpropyl)-3,3-dimethylindol-2-one
SMILESCC(C)(F)CN1C(=O)C(C)(C)c2cc(N)c(N)cc21
InChIInChI=1S/C14H20FN3O/c1-13(2,15)7-18-11-6-10(17)9(16)5-8(11)14(3,4)12(18)19/h5-6H,7,16-17H2,1-4H3
InChIKeyPOQRTPMRMQVEAC-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.22
Rot. Bonds2

About 5,6-diamino-1-(2-fluoro-2-methylpropyl)-3,3-dimethylindol-2-one

5,6-diamino-1-(2-fluoro-2-methylpropyl)-3,3-dimethylindol-2-one (PubChem CID 143135895) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 5,6-diamino-1-(2-fluoro-2-methylpropyl)-3,3-dimethylindol-2-one.

Molecular Properties

Compound Name5,6-diamino-1-(2-fluoro-2-methylpropyl)-3,3-dimethylindol-2-one
PubChem CID143135895
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name5,6-diamino-1-(2-fluoro-2-methylpropyl)-3,3-dimethylindol-2-one
SMILESCC(C)(F)CN1C(=O)C(C)(C)c2cc(N)c(N)cc21
InChIInChI=1S/C14H20FN3O/c1-13(2,15)7-18-11-6-10(17)9(16)5-8(11)14(3,4)12(18)19/h5-6H,7,16-17H2,1-4H3
InChIKeyPOQRTPMRMQVEAC-UHFFFAOYSA-N
XLogP2.22
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-1-(2-fluoro-2-methylpropyl)-3,3-dimethylindol-2-one?
The IUPAC name of 5,6-diamino-1-(2-fluoro-2-methylpropyl)-3,3-dimethylindol-2-one (CID 143135895) is 5,6-diamino-1-(2-fluoro-2-methylpropyl)-3,3-dimethylindol-2-one.
What is the SMILES notation for 5,6-diamino-1-(2-fluoro-2-methylpropyl)-3,3-dimethylindol-2-one?
The canonical SMILES for 5,6-diamino-1-(2-fluoro-2-methylpropyl)-3,3-dimethylindol-2-one is CC(C)(F)CN1C(=O)C(C)(C)c2cc(N)c(N)cc21.
What is the InChIKey of 5,6-diamino-1-(2-fluoro-2-methylpropyl)-3,3-dimethylindol-2-one?
The InChIKey is POQRTPMRMQVEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-13(2,15)7-18-11-6-10(17)9(16)5-8(11)14(3,4)12(18)19/h5-6H,7,16-17H2,1-4H3.
What are the key properties of 5,6-diamino-1-(2-fluoro-2-methylpropyl)-3,3-dimethylindol-2-one?
5,6-diamino-1-(2-fluoro-2-methylpropyl)-3,3-dimethylindol-2-one has a molecular weight of 265.33 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-1-(2-fluoro-2-methylpropyl)-3,3-dimethylindol-2-one is sourced from PubChem (CID 143135895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).