1,1,1,2,2,3,3,4,4-nonafluorobutane;seaborgium

C4F9Sg- — CID 162268631

IUPAC1,1,1,2,2,3,3,4,4-nonafluorobutane;seaborgium
SMILESF[C-](F)C(F)(F)C(F)(F)C(F)(F)F.[Sg]
InChIInChI=1S/C4F9.Sg/c5-1(6)2(7,8)3(9,10)4(11,12)13;/q-1;
InChIKeyNMWYQVDQENXCFD-UHFFFAOYSA-N
MW488.03 g/mol
LogP3.25
Rot. Bonds2

About 1,1,1,2,2,3,3,4,4-nonafluorobutane;seaborgium

1,1,1,2,2,3,3,4,4-nonafluorobutane;seaborgium (PubChem CID 162268631) has the molecular formula C4F9Sg- and a molecular weight of 488.03 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4-nonafluorobutane;seaborgium.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4-nonafluorobutane;seaborgium
PubChem CID162268631
Molecular FormulaC4F9Sg-
Molecular Weight488.03 g/mol
Exact Mass490.12
IUPAC Name1,1,1,2,2,3,3,4,4-nonafluorobutane;seaborgium
SMILESF[C-](F)C(F)(F)C(F)(F)C(F)(F)F.[Sg]
InChIInChI=1S/C4F9.Sg/c5-1(6)2(7,8)3(9,10)4(11,12)13;/q-1;
InChIKeyNMWYQVDQENXCFD-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.03
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Perfluoropentane
CID 12675
Perfluoropropane
CID 6432
Perfluorobutane
CID 9638
Perflisobutane
CID 67724
Bis(heptafluoroisopropyl)mercury
CID 2736035
Hexafluoroethane perfluoropropane
CID 22401982
Perfluorobutyllithium
CID 129760654
CID 12751198
CID 12751198
Bis(heptafluoropropyl)cadmium
CID 13451027
Bis(heptafluoroisopropyl)cadmium
CID 86104744
Perfluorobutylmagnesium
CID 129662719
Heptafluoropropyl radical
CID 137850

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluorobutane;seaborgium?
The IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluorobutane;seaborgium (CID 162268631) is 1,1,1,2,2,3,3,4,4-nonafluorobutane;seaborgium.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4-nonafluorobutane;seaborgium?
The canonical SMILES for 1,1,1,2,2,3,3,4,4-nonafluorobutane;seaborgium is F[C-](F)C(F)(F)C(F)(F)C(F)(F)F.[Sg].
What is the InChIKey of 1,1,1,2,2,3,3,4,4-nonafluorobutane;seaborgium?
The InChIKey is NMWYQVDQENXCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F9.Sg/c5-1(6)2(7,8)3(9,10)4(11,12)13;/q-1;.
What are the key properties of 1,1,1,2,2,3,3,4,4-nonafluorobutane;seaborgium?
1,1,1,2,2,3,3,4,4-nonafluorobutane;seaborgium has a molecular weight of 488.03 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4-nonafluorobutane;seaborgium is sourced from PubChem (CID 162268631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).