1-[[1-(bromomethyl)cyclopropyl]methyl]-6-fluoroindole-2,3-dione

C13H11BrFNO2 — CID 65008566

IUPAC1-[[1-(bromomethyl)cyclopropyl]methyl]-6-fluoroindole-2,3-dione
SMILESO=C1C(=O)N(CC2(CBr)CC2)c2cc(F)ccc21
InChIInChI=1S/C13H11BrFNO2/c14-6-13(3-4-13)7-16-10-5-8(15)1-2-9(10)11(17)12(16)18/h1-2,5H,3-4,6-7H2
InChIKeyQAPHMYKOCBRVPB-UHFFFAOYSA-N
MW312.14 g/mol
LogP2.53
Rot. Bonds3

About 1-[[1-(bromomethyl)cyclopropyl]methyl]-6-fluoroindole-2,3-dione

1-[[1-(bromomethyl)cyclopropyl]methyl]-6-fluoroindole-2,3-dione (PubChem CID 65008566) has the molecular formula C13H11BrFNO2 and a molecular weight of 312.14 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopropyl]methyl]-6-fluoroindole-2,3-dione.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopropyl]methyl]-6-fluoroindole-2,3-dione
PubChem CID65008566
Molecular FormulaC13H11BrFNO2
Molecular Weight312.14 g/mol
Exact Mass311.00
IUPAC Name1-[[1-(bromomethyl)cyclopropyl]methyl]-6-fluoroindole-2,3-dione
SMILESO=C1C(=O)N(CC2(CBr)CC2)c2cc(F)ccc21
InChIInChI=1S/C13H11BrFNO2/c14-6-13(3-4-13)7-16-10-5-8(15)1-2-9(10)11(17)12(16)18/h1-2,5H,3-4,6-7H2
InChIKeyQAPHMYKOCBRVPB-UHFFFAOYSA-N
XLogP2.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 52.53
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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Related Compounds

1-[[1-(bromomethyl)cyclopentyl]methyl]-5,6-difluoroindole-2,3-dione
CID 80727623
5-bromo-1-[[1-(bromomethyl)cyclobutyl]methyl]-6-fluoroindole-2,3-dione
CID 65007568
1-[2-(bromomethyl)-2-ethylbutyl]-6-fluoroindole-2,3-dione
CID 64998346
5-bromo-1-[[1-(bromomethyl)cyclobutyl]methyl]indole-2,3-dione
CID 65007404
1-[[1-(bromomethyl)cyclopentyl]methyl]-6,7-dimethylindole-2,3-dione
CID 65001743
1-(2-bromoprop-2-enyl)-6-fluoroindole-2,3-dione
CID 60872828
6-fluoro-1-(2-oxopropyl)indole-2,3-dione
CID 62024263
1-[[1-(bromomethyl)cyclobutyl]methyl]-6-fluoro-3,4-dihydroquinolin-2-one
CID 65007723
1-[[1-(bromomethyl)cyclopropyl]methyl]-4-chloroindole-2,3-dione
CID 65008202
1-[[1-(bromomethyl)cyclobutyl]methyl]-7-fluoro-5-methylindole-2,3-dione
CID 65007464
6-fluoro-1-(piperidin-4-ylmethyl)indole-2,3-dione
CID 84638791
2-[1-[(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)methyl]cyclopropyl]acetonitrile
CID 65495452

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclopropyl]methyl]-6-fluoroindole-2,3-dione?
The IUPAC name of 1-[[1-(bromomethyl)cyclopropyl]methyl]-6-fluoroindole-2,3-dione (CID 65008566) is 1-[[1-(bromomethyl)cyclopropyl]methyl]-6-fluoroindole-2,3-dione.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopropyl]methyl]-6-fluoroindole-2,3-dione?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopropyl]methyl]-6-fluoroindole-2,3-dione is O=C1C(=O)N(CC2(CBr)CC2)c2cc(F)ccc21.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopropyl]methyl]-6-fluoroindole-2,3-dione?
The InChIKey is QAPHMYKOCBRVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2/c14-6-13(3-4-13)7-16-10-5-8(15)1-2-9(10)11(17)12(16)18/h1-2,5H,3-4,6-7H2.
What are the key properties of 1-[[1-(bromomethyl)cyclopropyl]methyl]-6-fluoroindole-2,3-dione?
1-[[1-(bromomethyl)cyclopropyl]methyl]-6-fluoroindole-2,3-dione has a molecular weight of 312.14 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclopropyl]methyl]-6-fluoroindole-2,3-dione is sourced from PubChem (CID 65008566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).