bis(2,2-difluoroacetate);dipropyltin(2+)

C10H16F4O4Sn — CID 88726506

IUPACbis(2,2-difluoroacetate);dipropyltin(2+)
SMILESCCC[Sn+2]CCC.O=C([O-])C(F)F.O=C([O-])C(F)F
InChIInChI=1S/2C3H7.2C2H2F2O2.Sn/c2*1-3-2;2*3-1(4)2(5)6;/h2*1,3H2,2H3;2*1H,(H,5,6);/q;;;;+2/p-2
InChIKeySLMHWEQFCZSQON-UHFFFAOYSA-L
MW394.94 g/mol
LogP0.35
Rot. Bonds6

About bis(2,2-difluoroacetate);dipropyltin(2+)

bis(2,2-difluoroacetate);dipropyltin(2+) (PubChem CID 88726506) has the molecular formula C10H16F4O4Sn and a molecular weight of 394.94 g/mol. Its IUPAC name is bis(2,2-difluoroacetate);dipropyltin(2+).

Molecular Properties

Compound Namebis(2,2-difluoroacetate);dipropyltin(2+)
PubChem CID88726506
Molecular FormulaC10H16F4O4Sn
Molecular Weight394.94 g/mol
Exact Mass396.00
IUPAC Namebis(2,2-difluoroacetate);dipropyltin(2+)
SMILESCCC[Sn+2]CCC.O=C([O-])C(F)F.O=C([O-])C(F)F
InChIInChI=1S/2C3H7.2C2H2F2O2.Sn/c2*1-3-2;2*3-1(4)2(5)6;/h2*1,3H2,2H3;2*1H,(H,5,6);/q;;;;+2/p-2
InChIKeySLMHWEQFCZSQON-UHFFFAOYSA-L
XLogP0.35
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.94
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dibutyltin(2+);bis(2-sulfanylpropanoate)
CID 53471901
2,2-difluoroacetate;tributyl(methyl)azanium
CID 127262882
2-(1-carboxylatoethylsulfanyl)propanoate;dioctyltin(2+)
CID 21117141
dipropyltin(2+) diiodide
CID 23283862
dipropyltin(2+) dibromide
CID 87189803
silver 2-fluorobutanoate
CID 175008636
potassium 2-fluorobutanoate
CID 168947698
dihexyltin(2+);bis(2-ethylhexanoate)
CID 87140173
magnesium 2-ethylpropanedioate
CID 22261989
dialuminum;tris(2-ethylpropanedioate)
CID 157429593
dibutyltin(2+);2,4-dioxopentanoate;2-ethyl-3-oxobutanoate
CID 23184164
dibutyltin(2+);bis(3-oxobutanoate)
CID 22571283

Frequently Asked Questions

What is the IUPAC name of bis(2,2-difluoroacetate);dipropyltin(2+)?
The IUPAC name of bis(2,2-difluoroacetate);dipropyltin(2+) (CID 88726506) is bis(2,2-difluoroacetate);dipropyltin(2+).
What is the SMILES notation for bis(2,2-difluoroacetate);dipropyltin(2+)?
The canonical SMILES for bis(2,2-difluoroacetate);dipropyltin(2+) is CCC[Sn+2]CCC.O=C([O-])C(F)F.O=C([O-])C(F)F.
What is the InChIKey of bis(2,2-difluoroacetate);dipropyltin(2+)?
The InChIKey is SLMHWEQFCZSQON-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H7.2C2H2F2O2.Sn/c2*1-3-2;2*3-1(4)2(5)6;/h2*1,3H2,2H3;2*1H,(H,5,6);/q;;;;+2/p-2.
What are the key properties of bis(2,2-difluoroacetate);dipropyltin(2+)?
bis(2,2-difluoroacetate);dipropyltin(2+) has a molecular weight of 394.94 g/mol, XLogP of 0.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-difluoroacetate);dipropyltin(2+) is sourced from PubChem (CID 88726506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).