dimethyl-(2,3,4,5,6-pentafluorophenyl)sulfanylalumane

C8H6AlF5S — CID 140617822

IUPACdimethyl-(2,3,4,5,6-pentafluorophenyl)sulfanylalumane
SMILESC[Al](C)Sc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6HF5S.2CH3.Al/c7-1-2(8)4(10)6(12)5(11)3(1)9;;;/h12H;2*1H3;/q;;;+1/p-1
InChIKeyVVVJDKRYITZRJQ-UHFFFAOYSA-M
MW256.17 g/mol
LogP3.73
Rot. Bonds2

About dimethyl-(2,3,4,5,6-pentafluorophenyl)sulfanylalumane

dimethyl-(2,3,4,5,6-pentafluorophenyl)sulfanylalumane (PubChem CID 140617822) has the molecular formula C8H6AlF5S and a molecular weight of 256.17 g/mol. Its IUPAC name is dimethyl-(2,3,4,5,6-pentafluorophenyl)sulfanylalumane.

Molecular Properties

Compound Namedimethyl-(2,3,4,5,6-pentafluorophenyl)sulfanylalumane
PubChem CID140617822
Molecular FormulaC8H6AlF5S
Molecular Weight256.17 g/mol
Exact Mass255.99
IUPAC Namedimethyl-(2,3,4,5,6-pentafluorophenyl)sulfanylalumane
SMILESC[Al](C)Sc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6HF5S.2CH3.Al/c7-1-2(8)4(10)6(12)5(11)3(1)9;;;/h12H;2*1H3;/q;;;+1/p-1
InChIKeyVVVJDKRYITZRJQ-UHFFFAOYSA-M
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.17
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1,2,4,5,6,8-hexafluoro-3,7-bis[(2,3,4,5,6-pentafluorophenyl)sulfanyl]naphthalene
CID 2849409
1,2,3,4,5-pentafluoro-6-(methyldisulfanyl)benzene
CID 87156064
ethane;1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)sulfanylamino]sulfanylbenzene
CID 144769240
1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]sulfanylphenyl]benzene
CID 87931007
1,2,3,4,5,6,7,8,9,10,11,12-dodecafluorotriphenylene
CID 12871319
2,3,4,5,6-pentafluoro-N-[methyl-(2,3,4,5,6-pentafluoroanilino)alumanyl]aniline
CID 20872998
(2,3,4,5-tetrafluoro-6-phosphanylsulfanylphenyl) thiohypofluorite
CID 170719558
CID 159997610
CID 159997610
1,2,4,5-tetrafluoro-3,6-bis[(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)sulfanyl]benzene
CID 135273031
1-(ethylsulfanylmethyl)-2,3,4,5,6-pentafluorobenzene
CID 87154343
1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]sulfanylbenzene
CID 177256045
1,2,3,5-tetrafluoro-4-methylsulfanylbenzene
CID 59336372

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2,3,4,5,6-pentafluorophenyl)sulfanylalumane?
The IUPAC name of dimethyl-(2,3,4,5,6-pentafluorophenyl)sulfanylalumane (CID 140617822) is dimethyl-(2,3,4,5,6-pentafluorophenyl)sulfanylalumane.
What is the SMILES notation for dimethyl-(2,3,4,5,6-pentafluorophenyl)sulfanylalumane?
The canonical SMILES for dimethyl-(2,3,4,5,6-pentafluorophenyl)sulfanylalumane is C[Al](C)Sc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of dimethyl-(2,3,4,5,6-pentafluorophenyl)sulfanylalumane?
The InChIKey is VVVJDKRYITZRJQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6HF5S.2CH3.Al/c7-1-2(8)4(10)6(12)5(11)3(1)9;;;/h12H;2*1H3;/q;;;+1/p-1.
What are the key properties of dimethyl-(2,3,4,5,6-pentafluorophenyl)sulfanylalumane?
dimethyl-(2,3,4,5,6-pentafluorophenyl)sulfanylalumane has a molecular weight of 256.17 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2,3,4,5,6-pentafluorophenyl)sulfanylalumane is sourced from PubChem (CID 140617822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).