nonoxy-oxo-(4,4,4-trifluorobutyl)tin

C13H25F3O2Sn — CID 87370939

IUPACnonoxy-oxo-(4,4,4-trifluorobutyl)tin
SMILESCCCCCCCCCO[Sn](=O)CCCC(F)(F)F
InChIInChI=1S/C9H19O.C4H6F3.O.Sn/c1-2-3-4-5-6-7-8-9-10;1-2-3-4(5,6)7;;/h2-9H2,1H3;1-3H2;;/q-1;;;+1
InChIKeyMUNNMRRRXZFPEW-UHFFFAOYSA-N
MW389.05 g/mol
LogP5.01
Rot. Bonds12

About nonoxy-oxo-(4,4,4-trifluorobutyl)tin

nonoxy-oxo-(4,4,4-trifluorobutyl)tin (PubChem CID 87370939) has the molecular formula C13H25F3O2Sn and a molecular weight of 389.05 g/mol. Its IUPAC name is nonoxy-oxo-(4,4,4-trifluorobutyl)tin.

Molecular Properties

Compound Namenonoxy-oxo-(4,4,4-trifluorobutyl)tin
PubChem CID87370939
Molecular FormulaC13H25F3O2Sn
Molecular Weight389.05 g/mol
Exact Mass390.08
IUPAC Namenonoxy-oxo-(4,4,4-trifluorobutyl)tin
SMILESCCCCCCCCCO[Sn](=O)CCCC(F)(F)F
InChIInChI=1S/C9H19O.C4H6F3.O.Sn/c1-2-3-4-5-6-7-8-9-10;1-2-3-4(5,6)7;;/h2-9H2,1H3;1-3H2;;/q-1;;;+1
InChIKeyMUNNMRRRXZFPEW-UHFFFAOYSA-N
XLogP5.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.05
LogP ≤ 55.01
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

benzene;ethoxy-oxo-(4,4,4-trifluorobutyl)tin
CID 175260809
decoxy-oxo-(1,1,4,4,4-pentafluorobutyl)tin
CID 87370856
1-(4,4,4-trifluorobutoxy)heptane
CID 54323453
1,1,1-trifluorohexadecane
CID 15685316
1,1,1-trifluorooctane;trimethoxysilane
CID 175508235
methyl-octoxy-oxotin
CID 87374860
nonoxy-oxo-(2,3,4-trifluorobutyl)tin
CID 87370940
icosyl 1,1,12,12,12-pentafluorododecane-1-sulfonate
CID 175162578
di(nonoxy)-bis(4,4,4-trifluorobutyl)stannane
CID 87372284
1,1,1,7,7-pentafluoroheptadecane
CID 54180623
decoxy-(1,2,2,3,3,4,4-heptafluorobutyl)-oxotin
CID 87371739
1,2,2,3,3,4,4-heptafluorobutyl-octoxy-oxotin
CID 87372419

Frequently Asked Questions

What is the IUPAC name of nonoxy-oxo-(4,4,4-trifluorobutyl)tin?
The IUPAC name of nonoxy-oxo-(4,4,4-trifluorobutyl)tin (CID 87370939) is nonoxy-oxo-(4,4,4-trifluorobutyl)tin.
What is the SMILES notation for nonoxy-oxo-(4,4,4-trifluorobutyl)tin?
The canonical SMILES for nonoxy-oxo-(4,4,4-trifluorobutyl)tin is CCCCCCCCCO[Sn](=O)CCCC(F)(F)F.
What is the InChIKey of nonoxy-oxo-(4,4,4-trifluorobutyl)tin?
The InChIKey is MUNNMRRRXZFPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O.C4H6F3.O.Sn/c1-2-3-4-5-6-7-8-9-10;1-2-3-4(5,6)7;;/h2-9H2,1H3;1-3H2;;/q-1;;;+1.
What are the key properties of nonoxy-oxo-(4,4,4-trifluorobutyl)tin?
nonoxy-oxo-(4,4,4-trifluorobutyl)tin has a molecular weight of 389.05 g/mol, XLogP of 5.01, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonoxy-oxo-(4,4,4-trifluorobutyl)tin is sourced from PubChem (CID 87370939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).