dimethyl(2-phenylethynyl)selanium tetrafluoroborate

C10H11BF4Se — CID 11770938

IUPACdimethyl(2-phenylethynyl)selanium tetrafluoroborate
SMILESC[Se+](C)C#Cc1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C10H11Se.BF4/c1-11(2)9-8-10-6-4-3-5-7-10;2-1(3,4)5/h3-7H,1-2H3;/q+1;-1
InChIKeyOCQPNCBGPGDPDL-UHFFFAOYSA-N
MW296.96 g/mol
LogP3.63
Rot. Bonds

About dimethyl(2-phenylethynyl)selanium tetrafluoroborate

dimethyl(2-phenylethynyl)selanium tetrafluoroborate (PubChem CID 11770938) has the molecular formula C10H11BF4Se and a molecular weight of 296.96 g/mol. Its IUPAC name is dimethyl(2-phenylethynyl)selanium tetrafluoroborate.

Molecular Properties

Compound Namedimethyl(2-phenylethynyl)selanium tetrafluoroborate
PubChem CID11770938
Molecular FormulaC10H11BF4Se
Molecular Weight296.96 g/mol
Exact Mass298.01
IUPAC Namedimethyl(2-phenylethynyl)selanium tetrafluoroborate
SMILESC[Se+](C)C#Cc1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C10H11Se.BF4/c1-11(2)9-8-10-6-4-3-5-7-10;2-1(3,4)5/h3-7H,1-2H3;/q+1;-1
InChIKeyOCQPNCBGPGDPDL-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.96
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
methylsulfanylmethane;2-phenylethynylbenzene
CID 166709013
2-phenylethynylbenzene;dihydrochloride
CID 174927104
2-phenylethynylbenzene;hydrofluoride
CID 158259923
prop-1-ynylbenzene
CID 142310164
tetrakis(benzonitrile);palladium(2+);ditetrafluoroborate
CID 14290399
1,2,3,4,5,6,7,8-octafluoronaphthalene;2-phenylethynylbenzene
CID 139058258
nonakis(benzonitrile);bis(molybdenum(2+));tetratetrafluoroborate
CID 11982199
CID 11764100
CID 11764100
1,2-difluoro-3,4,5,6-tetrakis(2-phenylethynyl)benzene
CID 102591914
2-phenylethynylbenzene;sulfur dioxide
CID 175266779
12-phenyl(1,12-13C2)dodeca-1,3,5,7,9,11-hexaynylbenzene
CID 102289282

Frequently Asked Questions

What is the IUPAC name of dimethyl(2-phenylethynyl)selanium tetrafluoroborate?
The IUPAC name of dimethyl(2-phenylethynyl)selanium tetrafluoroborate (CID 11770938) is dimethyl(2-phenylethynyl)selanium tetrafluoroborate.
What is the SMILES notation for dimethyl(2-phenylethynyl)selanium tetrafluoroborate?
The canonical SMILES for dimethyl(2-phenylethynyl)selanium tetrafluoroborate is C[Se+](C)C#Cc1ccccc1.F[B-](F)(F)F.
What is the InChIKey of dimethyl(2-phenylethynyl)selanium tetrafluoroborate?
The InChIKey is OCQPNCBGPGDPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Se.BF4/c1-11(2)9-8-10-6-4-3-5-7-10;2-1(3,4)5/h3-7H,1-2H3;/q+1;-1.
What are the key properties of dimethyl(2-phenylethynyl)selanium tetrafluoroborate?
dimethyl(2-phenylethynyl)selanium tetrafluoroborate has a molecular weight of 296.96 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(2-phenylethynyl)selanium tetrafluoroborate is sourced from PubChem (CID 11770938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).