7-(1-amino-2-methoxyethyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one

C13H17FN2O2 — CID 82173311

IUPAC7-(1-amino-2-methoxyethyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one
SMILESCOCC(N)c1cc(F)cc2c1NC(=O)C2(C)C
InChIInChI=1S/C13H17FN2O2/c1-13(2)9-5-7(14)4-8(10(15)6-18-3)11(9)16-12(13)17/h4-5,10H,6,15H2,1-3H3,(H,16,17)
InChIKeyOCBDWCCDDPZWSQ-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.70
Rot. Bonds3

About 7-(1-amino-2-methoxyethyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one

7-(1-amino-2-methoxyethyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one (PubChem CID 82173311) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 7-(1-amino-2-methoxyethyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name7-(1-amino-2-methoxyethyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one
PubChem CID82173311
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name7-(1-amino-2-methoxyethyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one
SMILESCOCC(N)c1cc(F)cc2c1NC(=O)C2(C)C
InChIInChI=1S/C13H17FN2O2/c1-13(2)9-5-7(14)4-8(10(15)6-18-3)11(9)16-12(13)17/h4-5,10H,6,15H2,1-3H3,(H,16,17)
InChIKeyOCBDWCCDDPZWSQ-UHFFFAOYSA-N
XLogP1.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(1-amino-2-methoxyethyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 7-(1-amino-2-methoxyethyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one (CID 82173311) is 7-(1-amino-2-methoxyethyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 7-(1-amino-2-methoxyethyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 7-(1-amino-2-methoxyethyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one is COCC(N)c1cc(F)cc2c1NC(=O)C2(C)C.
What is the InChIKey of 7-(1-amino-2-methoxyethyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one?
The InChIKey is OCBDWCCDDPZWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-13(2)9-5-7(14)4-8(10(15)6-18-3)11(9)16-12(13)17/h4-5,10H,6,15H2,1-3H3,(H,16,17).
What are the key properties of 7-(1-amino-2-methoxyethyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one?
7-(1-amino-2-methoxyethyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one has a molecular weight of 252.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-amino-2-methoxyethyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 82173311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).