carbon monoxide;cobalt;1,1,1-trifluorooct-3-yn-2-ylbenzene;tetrafluoroborate

C20H14BCo2F7O6 — CID 11017522

IUPACcarbon monoxide;cobalt;1,1,1-trifluorooct-3-yn-2-ylbenzene;tetrafluoroborate
SMILESCCCCC#C[C+](c1ccccc1)C(F)(F)F.F[B-](F)(F)F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C14H14F3.6CO.BF4.2Co/c1-2-3-4-8-11-13(14(15,16)17)12-9-6-5-7-10-12;6*1-2;2-1(3,4)5;;/h5-7,9-10H,2-4H2,1H3;;;;;;;;;/q+1;;;;;;;-1;;
InChIKeyFHUXJAZQWQVVJL-UHFFFAOYSA-N
MW611.99 g/mol
LogP5.44
Rot. Bonds3

About carbon monoxide;cobalt;1,1,1-trifluorooct-3-yn-2-ylbenzene;tetrafluoroborate

carbon monoxide;cobalt;1,1,1-trifluorooct-3-yn-2-ylbenzene;tetrafluoroborate (PubChem CID 11017522) has the molecular formula C20H14BCo2F7O6 and a molecular weight of 611.99 g/mol. Its IUPAC name is carbon monoxide;cobalt;1,1,1-trifluorooct-3-yn-2-ylbenzene;tetrafluoroborate.

Molecular Properties

Compound Namecarbon monoxide;cobalt;1,1,1-trifluorooct-3-yn-2-ylbenzene;tetrafluoroborate
PubChem CID11017522
Molecular FormulaC20H14BCo2F7O6
Molecular Weight611.99 g/mol
Exact Mass611.94
IUPAC Namecarbon monoxide;cobalt;1,1,1-trifluorooct-3-yn-2-ylbenzene;tetrafluoroborate
SMILESCCCCC#C[C+](c1ccccc1)C(F)(F)F.F[B-](F)(F)F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C14H14F3.6CO.BF4.2Co/c1-2-3-4-8-11-13(14(15,16)17)12-9-6-5-7-10-12;6*1-2;2-1(3,4)5;;/h5-7,9-10H,2-4H2,1H3;;;;;;;;;/q+1;;;;;;;-1;;
InChIKeyFHUXJAZQWQVVJL-UHFFFAOYSA-N
XLogP5.44
TPSA119.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.99
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

dec-1-ynyl(diphenyl)sulfanium tetrafluoroborate
CID 11133350
oct-1-en-3-yn-2-ylbenzene
CID 86242377
(5-hex-1-ynyloxolan-2-yl)-triphenylphosphanium tetrafluoroborate
CID 11533403
(2-hex-1-ynylphenyl)-trimethylsilane
CID 139650960
1-hex-1-ynyl-4-(trifluoromethyl)benzene
CID 11736275
hex-1-ynyl(diphenyl)stibane
CID 177419018
1,1'-biphenyl;pentanenitrile
CID 161141924
dec-3-ynylbenzene
CID 13130420
1,1,1-trifluoro-N-(2-hex-1-ynylphenyl)-4-phenylbut-3-yn-2-imine
CID 102428527
1-(2-hept-2-ynoylphenyl)hept-2-yn-1-one
CID 164666066
CID 10856570
CID 10856570
1,2-bis(oct-1-ynyl)benzene
CID 11087701

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cobalt;1,1,1-trifluorooct-3-yn-2-ylbenzene;tetrafluoroborate?
The IUPAC name of carbon monoxide;cobalt;1,1,1-trifluorooct-3-yn-2-ylbenzene;tetrafluoroborate (CID 11017522) is carbon monoxide;cobalt;1,1,1-trifluorooct-3-yn-2-ylbenzene;tetrafluoroborate.
What is the SMILES notation for carbon monoxide;cobalt;1,1,1-trifluorooct-3-yn-2-ylbenzene;tetrafluoroborate?
The canonical SMILES for carbon monoxide;cobalt;1,1,1-trifluorooct-3-yn-2-ylbenzene;tetrafluoroborate is CCCCC#C[C+](c1ccccc1)C(F)(F)F.F[B-](F)(F)F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].
What is the InChIKey of carbon monoxide;cobalt;1,1,1-trifluorooct-3-yn-2-ylbenzene;tetrafluoroborate?
The InChIKey is FHUXJAZQWQVVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3.6CO.BF4.2Co/c1-2-3-4-8-11-13(14(15,16)17)12-9-6-5-7-10-12;6*1-2;2-1(3,4)5;;/h5-7,9-10H,2-4H2,1H3;;;;;;;;;/q+1;;;;;;;-1;;.
What are the key properties of carbon monoxide;cobalt;1,1,1-trifluorooct-3-yn-2-ylbenzene;tetrafluoroborate?
carbon monoxide;cobalt;1,1,1-trifluorooct-3-yn-2-ylbenzene;tetrafluoroborate has a molecular weight of 611.99 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cobalt;1,1,1-trifluorooct-3-yn-2-ylbenzene;tetrafluoroborate is sourced from PubChem (CID 11017522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).