ethoxy-(1,1,2,2,4,4,4-heptafluorobutyl)-oxotin

C6H7F7O2Sn — CID 87372541

IUPACethoxy-(1,1,2,2,4,4,4-heptafluorobutyl)-oxotin
SMILESCCO[Sn](=O)C(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C4H2F7.C2H5O.O.Sn/c5-2(6)3(7,8)1-4(9,10)11;1-2-3;;/h1H2;2H2,1H3;;/q;-1;;+1
InChIKeyIWNLEBKEILUZSQ-UHFFFAOYSA-N
MW362.82 g/mol
LogP2.70
Rot. Bonds5

About ethoxy-(1,1,2,2,4,4,4-heptafluorobutyl)-oxotin

ethoxy-(1,1,2,2,4,4,4-heptafluorobutyl)-oxotin (PubChem CID 87372541) has the molecular formula C6H7F7O2Sn and a molecular weight of 362.82 g/mol. Its IUPAC name is ethoxy-(1,1,2,2,4,4,4-heptafluorobutyl)-oxotin.

Molecular Properties

Compound Nameethoxy-(1,1,2,2,4,4,4-heptafluorobutyl)-oxotin
PubChem CID87372541
Molecular FormulaC6H7F7O2Sn
Molecular Weight362.82 g/mol
Exact Mass363.94
IUPAC Nameethoxy-(1,1,2,2,4,4,4-heptafluorobutyl)-oxotin
SMILESCCO[Sn](=O)C(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C4H2F7.C2H5O.O.Sn/c5-2(6)3(7,8)1-4(9,10)11;1-2-3;;/h1H2;2H2,1H3;;/q;-1;;+1
InChIKeyIWNLEBKEILUZSQ-UHFFFAOYSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxy-(1,1,2,2,4,4,4-heptafluorobutyl)-oxotin?
The IUPAC name of ethoxy-(1,1,2,2,4,4,4-heptafluorobutyl)-oxotin (CID 87372541) is ethoxy-(1,1,2,2,4,4,4-heptafluorobutyl)-oxotin.
What is the SMILES notation for ethoxy-(1,1,2,2,4,4,4-heptafluorobutyl)-oxotin?
The canonical SMILES for ethoxy-(1,1,2,2,4,4,4-heptafluorobutyl)-oxotin is CCO[Sn](=O)C(F)(F)C(F)(F)CC(F)(F)F.
What is the InChIKey of ethoxy-(1,1,2,2,4,4,4-heptafluorobutyl)-oxotin?
The InChIKey is IWNLEBKEILUZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F7.C2H5O.O.Sn/c5-2(6)3(7,8)1-4(9,10)11;1-2-3;;/h1H2;2H2,1H3;;/q;-1;;+1.
What are the key properties of ethoxy-(1,1,2,2,4,4,4-heptafluorobutyl)-oxotin?
ethoxy-(1,1,2,2,4,4,4-heptafluorobutyl)-oxotin has a molecular weight of 362.82 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(1,1,2,2,4,4,4-heptafluorobutyl)-oxotin is sourced from PubChem (CID 87372541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).