decoxy-oxo-(1,1,4,4,4-pentafluorobutyl)tin

C14H25F5O2Sn — CID 87370856

IUPACdecoxy-oxo-(1,1,4,4,4-pentafluorobutyl)tin
SMILESCCCCCCCCCCO[Sn](=O)C(F)(F)CCC(F)(F)F
InChIInChI=1S/C10H21O.C4H4F5.O.Sn/c1-2-3-4-5-6-7-8-9-10-11;5-3(6)1-2-4(7,8)9;;/h2-10H2,1H3;1-2H2;;/q-1;;;+1
InChIKeyXAPQEWLQXSMOEJ-UHFFFAOYSA-N
MW439.05 g/mol
LogP5.58
Rot. Bonds13

About decoxy-oxo-(1,1,4,4,4-pentafluorobutyl)tin

decoxy-oxo-(1,1,4,4,4-pentafluorobutyl)tin (PubChem CID 87370856) has the molecular formula C14H25F5O2Sn and a molecular weight of 439.05 g/mol. Its IUPAC name is decoxy-oxo-(1,1,4,4,4-pentafluorobutyl)tin.

Molecular Properties

Compound Namedecoxy-oxo-(1,1,4,4,4-pentafluorobutyl)tin
PubChem CID87370856
Molecular FormulaC14H25F5O2Sn
Molecular Weight439.05 g/mol
Exact Mass440.08
IUPAC Namedecoxy-oxo-(1,1,4,4,4-pentafluorobutyl)tin
SMILESCCCCCCCCCCO[Sn](=O)C(F)(F)CCC(F)(F)F
InChIInChI=1S/C10H21O.C4H4F5.O.Sn/c1-2-3-4-5-6-7-8-9-10-11;5-3(6)1-2-4(7,8)9;;/h2-10H2,1H3;1-2H2;;/q-1;;;+1
InChIKeyXAPQEWLQXSMOEJ-UHFFFAOYSA-N
XLogP5.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.05
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

nonoxy-oxo-(4,4,4-trifluorobutyl)tin
CID 87370939
1-(4,4,4-trifluorobutoxy)heptane
CID 54323453
methyl-octoxy-oxotin
CID 87374860
1,1,1-trifluorohexadecane
CID 15685316
decoxy-(1,2,2,3,3,4,4-heptafluorobutyl)-oxotin
CID 87371739
1,2,2,3,3,4,4-heptafluorobutyl-octoxy-oxotin
CID 87372419
1-butoxy-5-(3,3,3-trifluoropropoxy)pentane
CID 59366555
1,1,1-trifluorooctane;trimethoxysilane
CID 175508235
icosyl 1,1,12,12,12-pentafluorododecane-1-sulfonate
CID 175162578
di(nonoxy)-bis(4,4,4-trifluorobutyl)stannane
CID 87372284
1-(3,3,3-trifluoro-1-heptoxypropoxy)heptane
CID 141447005
1,1,1,7,7-pentafluoroheptadecane
CID 54180623

Frequently Asked Questions

What is the IUPAC name of decoxy-oxo-(1,1,4,4,4-pentafluorobutyl)tin?
The IUPAC name of decoxy-oxo-(1,1,4,4,4-pentafluorobutyl)tin (CID 87370856) is decoxy-oxo-(1,1,4,4,4-pentafluorobutyl)tin.
What is the SMILES notation for decoxy-oxo-(1,1,4,4,4-pentafluorobutyl)tin?
The canonical SMILES for decoxy-oxo-(1,1,4,4,4-pentafluorobutyl)tin is CCCCCCCCCCO[Sn](=O)C(F)(F)CCC(F)(F)F.
What is the InChIKey of decoxy-oxo-(1,1,4,4,4-pentafluorobutyl)tin?
The InChIKey is XAPQEWLQXSMOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O.C4H4F5.O.Sn/c1-2-3-4-5-6-7-8-9-10-11;5-3(6)1-2-4(7,8)9;;/h2-10H2,1H3;1-2H2;;/q-1;;;+1.
What are the key properties of decoxy-oxo-(1,1,4,4,4-pentafluorobutyl)tin?
decoxy-oxo-(1,1,4,4,4-pentafluorobutyl)tin has a molecular weight of 439.05 g/mol, XLogP of 5.58, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decoxy-oxo-(1,1,4,4,4-pentafluorobutyl)tin is sourced from PubChem (CID 87370856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).