3-butyl-1,2,4,5-tetrafluorobenzene-6-ide;1,2,4,5-tetrafluoro-3-methylbenzene-6-ide;tungsten(2+)

C17H12F8W — CID 58185849

IUPAC3-butyl-1,2,4,5-tetrafluorobenzene-6-ide;1,2,4,5-tetrafluoro-3-methylbenzene-6-ide;tungsten(2+)
SMILESCCCCc1c(F)c(F)[c-]c(F)c1F.Cc1c(F)c(F)[c-]c(F)c1F.[W+2]
InChIInChI=1S/C10H9F4.C7H3F4.W/c1-2-3-4-6-9(13)7(11)5-8(12)10(6)14;1-3-6(10)4(8)2-5(9)7(3)11;/h2-4H2,1H3;1H3;/q2*-1;+2
InChIKeyHVVLNASCDOLOQS-UHFFFAOYSA-N
MW552.11 g/mol
LogP5.73
Rot. Bonds3

About 3-butyl-1,2,4,5-tetrafluorobenzene-6-ide;1,2,4,5-tetrafluoro-3-methylbenzene-6-ide;tungsten(2+)

3-butyl-1,2,4,5-tetrafluorobenzene-6-ide;1,2,4,5-tetrafluoro-3-methylbenzene-6-ide;tungsten(2+) (PubChem CID 58185849) has the molecular formula C17H12F8W and a molecular weight of 552.11 g/mol. Its IUPAC name is 3-butyl-1,2,4,5-tetrafluorobenzene-6-ide;1,2,4,5-tetrafluoro-3-methylbenzene-6-ide;tungsten(2+).

Molecular Properties

Compound Name3-butyl-1,2,4,5-tetrafluorobenzene-6-ide;1,2,4,5-tetrafluoro-3-methylbenzene-6-ide;tungsten(2+)
PubChem CID58185849
Molecular FormulaC17H12F8W
Molecular Weight552.11 g/mol
Exact Mass552.03
IUPAC Name3-butyl-1,2,4,5-tetrafluorobenzene-6-ide;1,2,4,5-tetrafluoro-3-methylbenzene-6-ide;tungsten(2+)
SMILESCCCCc1c(F)c(F)[c-]c(F)c1F.Cc1c(F)c(F)[c-]c(F)c1F.[W+2]
InChIInChI=1S/C10H9F4.C7H3F4.W/c1-2-3-4-6-9(13)7(11)5-8(12)10(6)14;1-3-6(10)4(8)2-5(9)7(3)11;/h2-4H2,1H3;1H3;/q2*-1;+2
InChIKeyHVVLNASCDOLOQS-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.11
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-butyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
CID 14092719
(4-butyl-2,3,5,6-tetrafluorophenyl)methanamine
CID 19433019
1,3,5-tributyl-2,4,6-trimethylbenzene
CID 123628431
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
argon;1,2,3,4,5-pentafluoro-6-pentylbenzene;hydrofluoride
CID 158257031
bis(1,2,3,4,5-pentafluorobenzene-6-ide);silver;tetrabutylazanium
CID 135046013
(2,3,5,6-tetrafluoro-4-pentylphenyl)methanamine
CID 19433002
1-butyl-2,3,6-trifluoro-5-methyl-4-(trioxidanylsulfanyl)benzene
CID 59676532
1,3,5-tributyl-2,4,6-triethylbenzene
CID 10925571
1,2,3,4-tetrabutylbenzene
CID 11220391
tris(butan-1-ol);(2,3,5,6-tetrafluoro-4-methylphenyl)methanol;zirconium
CID 87559754
4-butyl-3,6-dichloro-5-methylpyridazine
CID 164864335

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1,2,4,5-tetrafluorobenzene-6-ide;1,2,4,5-tetrafluoro-3-methylbenzene-6-ide;tungsten(2+)?
The IUPAC name of 3-butyl-1,2,4,5-tetrafluorobenzene-6-ide;1,2,4,5-tetrafluoro-3-methylbenzene-6-ide;tungsten(2+) (CID 58185849) is 3-butyl-1,2,4,5-tetrafluorobenzene-6-ide;1,2,4,5-tetrafluoro-3-methylbenzene-6-ide;tungsten(2+).
What is the SMILES notation for 3-butyl-1,2,4,5-tetrafluorobenzene-6-ide;1,2,4,5-tetrafluoro-3-methylbenzene-6-ide;tungsten(2+)?
The canonical SMILES for 3-butyl-1,2,4,5-tetrafluorobenzene-6-ide;1,2,4,5-tetrafluoro-3-methylbenzene-6-ide;tungsten(2+) is CCCCc1c(F)c(F)[c-]c(F)c1F.Cc1c(F)c(F)[c-]c(F)c1F.[W+2].
What is the InChIKey of 3-butyl-1,2,4,5-tetrafluorobenzene-6-ide;1,2,4,5-tetrafluoro-3-methylbenzene-6-ide;tungsten(2+)?
The InChIKey is HVVLNASCDOLOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4.C7H3F4.W/c1-2-3-4-6-9(13)7(11)5-8(12)10(6)14;1-3-6(10)4(8)2-5(9)7(3)11;/h2-4H2,1H3;1H3;/q2*-1;+2.
What are the key properties of 3-butyl-1,2,4,5-tetrafluorobenzene-6-ide;1,2,4,5-tetrafluoro-3-methylbenzene-6-ide;tungsten(2+)?
3-butyl-1,2,4,5-tetrafluorobenzene-6-ide;1,2,4,5-tetrafluoro-3-methylbenzene-6-ide;tungsten(2+) has a molecular weight of 552.11 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1,2,4,5-tetrafluorobenzene-6-ide;1,2,4,5-tetrafluoro-3-methylbenzene-6-ide;tungsten(2+) is sourced from PubChem (CID 58185849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).