1-[[1-(bromomethyl)cyclobutyl]methyl]-7-fluoro-5-methylindole-2,3-dione

C15H15BrFNO2 — CID 65007464

IUPAC1-[[1-(bromomethyl)cyclobutyl]methyl]-7-fluoro-5-methylindole-2,3-dione
SMILESCc1cc(F)c2c(c1)C(=O)C(=O)N2CC1(CBr)CCC1
InChIInChI=1S/C15H15BrFNO2/c1-9-5-10-12(11(17)6-9)18(14(20)13(10)19)8-15(7-16)3-2-4-15/h5-6H,2-4,7-8H2,1H3
InChIKeyUUVYRVABFLGUSX-UHFFFAOYSA-N
MW340.19 g/mol
LogP3.23
Rot. Bonds3

About 1-[[1-(bromomethyl)cyclobutyl]methyl]-7-fluoro-5-methylindole-2,3-dione

1-[[1-(bromomethyl)cyclobutyl]methyl]-7-fluoro-5-methylindole-2,3-dione (PubChem CID 65007464) has the molecular formula C15H15BrFNO2 and a molecular weight of 340.19 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclobutyl]methyl]-7-fluoro-5-methylindole-2,3-dione.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclobutyl]methyl]-7-fluoro-5-methylindole-2,3-dione
PubChem CID65007464
Molecular FormulaC15H15BrFNO2
Molecular Weight340.19 g/mol
Exact Mass339.03
IUPAC Name1-[[1-(bromomethyl)cyclobutyl]methyl]-7-fluoro-5-methylindole-2,3-dione
SMILESCc1cc(F)c2c(c1)C(=O)C(=O)N2CC1(CBr)CCC1
InChIInChI=1S/C15H15BrFNO2/c1-9-5-10-12(11(17)6-9)18(14(20)13(10)19)8-15(7-16)3-2-4-15/h5-6H,2-4,7-8H2,1H3
InChIKeyUUVYRVABFLGUSX-UHFFFAOYSA-N
XLogP3.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclobutyl]methyl]-7-fluoro-5-methylindole-2,3-dione?
The IUPAC name of 1-[[1-(bromomethyl)cyclobutyl]methyl]-7-fluoro-5-methylindole-2,3-dione (CID 65007464) is 1-[[1-(bromomethyl)cyclobutyl]methyl]-7-fluoro-5-methylindole-2,3-dione.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclobutyl]methyl]-7-fluoro-5-methylindole-2,3-dione?
The canonical SMILES for 1-[[1-(bromomethyl)cyclobutyl]methyl]-7-fluoro-5-methylindole-2,3-dione is Cc1cc(F)c2c(c1)C(=O)C(=O)N2CC1(CBr)CCC1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclobutyl]methyl]-7-fluoro-5-methylindole-2,3-dione?
The InChIKey is UUVYRVABFLGUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2/c1-9-5-10-12(11(17)6-9)18(14(20)13(10)19)8-15(7-16)3-2-4-15/h5-6H,2-4,7-8H2,1H3.
What are the key properties of 1-[[1-(bromomethyl)cyclobutyl]methyl]-7-fluoro-5-methylindole-2,3-dione?
1-[[1-(bromomethyl)cyclobutyl]methyl]-7-fluoro-5-methylindole-2,3-dione has a molecular weight of 340.19 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclobutyl]methyl]-7-fluoro-5-methylindole-2,3-dione is sourced from PubChem (CID 65007464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).