7-fluoro-5-methyl-1-(3-oxopentan-2-yl)indole-2,3-dione

C14H14FNO3 — CID 64865870

IUPAC7-fluoro-5-methyl-1-(3-oxopentan-2-yl)indole-2,3-dione
SMILESCCC(=O)C(C)N1C(=O)C(=O)c2cc(C)cc(F)c21
InChIInChI=1S/C14H14FNO3/c1-4-11(17)8(3)16-12-9(13(18)14(16)19)5-7(2)6-10(12)15/h5-6,8H,4H2,1-3H3
InChIKeyWLFIPBPKZNTNFX-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.03
Rot. Bonds3

About 7-fluoro-5-methyl-1-(3-oxopentan-2-yl)indole-2,3-dione

7-fluoro-5-methyl-1-(3-oxopentan-2-yl)indole-2,3-dione (PubChem CID 64865870) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is 7-fluoro-5-methyl-1-(3-oxopentan-2-yl)indole-2,3-dione.

Molecular Properties

Compound Name7-fluoro-5-methyl-1-(3-oxopentan-2-yl)indole-2,3-dione
PubChem CID64865870
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name7-fluoro-5-methyl-1-(3-oxopentan-2-yl)indole-2,3-dione
SMILESCCC(=O)C(C)N1C(=O)C(=O)c2cc(C)cc(F)c21
InChIInChI=1S/C14H14FNO3/c1-4-11(17)8(3)16-12-9(13(18)14(16)19)5-7(2)6-10(12)15/h5-6,8H,4H2,1-3H3
InChIKeyWLFIPBPKZNTNFX-UHFFFAOYSA-N
XLogP2.03
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-methyl-1-(3-oxopentan-2-yl)indole-2,3-dione?
The IUPAC name of 7-fluoro-5-methyl-1-(3-oxopentan-2-yl)indole-2,3-dione (CID 64865870) is 7-fluoro-5-methyl-1-(3-oxopentan-2-yl)indole-2,3-dione.
What is the SMILES notation for 7-fluoro-5-methyl-1-(3-oxopentan-2-yl)indole-2,3-dione?
The canonical SMILES for 7-fluoro-5-methyl-1-(3-oxopentan-2-yl)indole-2,3-dione is CCC(=O)C(C)N1C(=O)C(=O)c2cc(C)cc(F)c21.
What is the InChIKey of 7-fluoro-5-methyl-1-(3-oxopentan-2-yl)indole-2,3-dione?
The InChIKey is WLFIPBPKZNTNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c1-4-11(17)8(3)16-12-9(13(18)14(16)19)5-7(2)6-10(12)15/h5-6,8H,4H2,1-3H3.
What are the key properties of 7-fluoro-5-methyl-1-(3-oxopentan-2-yl)indole-2,3-dione?
7-fluoro-5-methyl-1-(3-oxopentan-2-yl)indole-2,3-dione has a molecular weight of 263.27 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-methyl-1-(3-oxopentan-2-yl)indole-2,3-dione is sourced from PubChem (CID 64865870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).