5-bromo-7-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile

C13H15BrFNOSi — CID 151437799

IUPAC5-bromo-7-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)CCc2cc(Br)cc(F)c21
InChIInChI=1S/C13H15BrFNOSi/c1-18(2,3)17-13(8-16)5-4-9-6-10(14)7-11(15)12(9)13/h6-7H,4-5H2,1-3H3
InChIKeyPDWOXOOOWLUMOW-UHFFFAOYSA-N
MW328.26 g/mol
LogP4.10
Rot. Bonds2

About 5-bromo-7-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile

5-bromo-7-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile (PubChem CID 151437799) has the molecular formula C13H15BrFNOSi and a molecular weight of 328.26 g/mol. Its IUPAC name is 5-bromo-7-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile.

Molecular Properties

Compound Name5-bromo-7-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile
PubChem CID151437799
Molecular FormulaC13H15BrFNOSi
Molecular Weight328.26 g/mol
Exact Mass327.01
IUPAC Name5-bromo-7-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)CCc2cc(Br)cc(F)c21
InChIInChI=1S/C13H15BrFNOSi/c1-18(2,3)17-13(8-16)5-4-9-6-10(14)7-11(15)12(9)13/h6-7H,4-5H2,1-3H3
InChIKeyPDWOXOOOWLUMOW-UHFFFAOYSA-N
XLogP4.10
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.26
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-7-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Bromo-4-fluoro-1-methyl-indan-1-ol
CID 139482314
(5-bromo-6-fluoro-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane
CID 140776237
5-Bromo-4-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile
CID 150204545
(5-Bromo-7-fluoro-1-isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane
CID 164706932
5-Bromo-4-fluoro-1-hydroxy-2,3-dihydroindene-1-carbonitrile
CID 167026336
(5-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane
CID 168727918
6-bromo-3-[tert-butyl(dimethyl)silyl]oxy-7-fluoro-2-methyl-2,3-dihydro-1H-indene-5-carbonitrile
CID 172487292
(2R,3R)-6-bromo-3-[tert-butyl(dimethyl)silyl]oxy-2,7-difluoro-2,3-dihydro-1H-indene-5-carbonitrile
CID 172487294
(6-bromo-4-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane
CID 172487375
6-bromo-3-[tert-butyl(dimethyl)silyl]oxy-7-fluoro-2,3-dihydro-1H-indene-5-carbonitrile
CID 172487406
(6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane
CID 172487451
6-bromo-1-[tert-butyl(dimethyl)silyl]oxy-7-fluoro-2,3-dihydro-1H-indene-5-carbonitrile
CID 174109843

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile?
The IUPAC name of 5-bromo-7-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile (CID 151437799) is 5-bromo-7-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile.
What is the SMILES notation for 5-bromo-7-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile?
The canonical SMILES for 5-bromo-7-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile is C[Si](C)(C)OC1(C#N)CCc2cc(Br)cc(F)c21.
What is the InChIKey of 5-bromo-7-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile?
The InChIKey is PDWOXOOOWLUMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNOSi/c1-18(2,3)17-13(8-16)5-4-9-6-10(14)7-11(15)12(9)13/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-bromo-7-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile?
5-bromo-7-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile has a molecular weight of 328.26 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile is sourced from PubChem (CID 151437799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).