nonoxy-oxo-(2,3,4-trifluorobutyl)tin

C13H25F3O2Sn — CID 87370940

IUPACnonoxy-oxo-(2,3,4-trifluorobutyl)tin
SMILESCCCCCCCCCO[Sn](=O)CC(F)C(F)CF
InChIInChI=1S/C9H19O.C4H6F3.O.Sn/c1-2-3-4-5-6-7-8-9-10;1-3(6)4(7)2-5;;/h2-9H2,1H3;3-4H,1-2H2;;/q-1;;;+1
InChIKeyYPSIPHGFFVKXKH-UHFFFAOYSA-N
MW389.05 g/mol
LogP4.32
Rot. Bonds13

About nonoxy-oxo-(2,3,4-trifluorobutyl)tin

nonoxy-oxo-(2,3,4-trifluorobutyl)tin (PubChem CID 87370940) has the molecular formula C13H25F3O2Sn and a molecular weight of 389.05 g/mol. Its IUPAC name is nonoxy-oxo-(2,3,4-trifluorobutyl)tin.

Molecular Properties

Compound Namenonoxy-oxo-(2,3,4-trifluorobutyl)tin
PubChem CID87370940
Molecular FormulaC13H25F3O2Sn
Molecular Weight389.05 g/mol
Exact Mass390.08
IUPAC Namenonoxy-oxo-(2,3,4-trifluorobutyl)tin
SMILESCCCCCCCCCO[Sn](=O)CC(F)C(F)CF
InChIInChI=1S/C9H19O.C4H6F3.O.Sn/c1-2-3-4-5-6-7-8-9-10;1-3(6)4(7)2-5;;/h2-9H2,1H3;3-4H,1-2H2;;/q-1;;;+1
InChIKeyYPSIPHGFFVKXKH-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.05
LogP ≤ 54.32
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

decoxy-(1,2,2,3,3,4,4-heptafluorobutyl)-oxotin
CID 87371739
1,2,2,3,3,4,4-heptafluorobutyl-octoxy-oxotin
CID 87372419
nonoxy-oxo-(4,4,4-trifluorobutyl)tin
CID 87370939
methyl-octoxy-oxotin
CID 87374860
1-(difluoromethoxy)decane
CID 14400535
decyl decanoate;2,2-difluoroacetic acid
CID 157308759
ethyl 2-fluoro-2-octoxyacetate
CID 79357216
octyl 2-chloro-3-fluoropropanoate
CID 169291146
1-(1-fluoroethoxy)tridecane
CID 175410550
CID 87421899
CID 87421899
pentadecyl 1-fluorodecane-1-sulfonate
CID 175165524
octadecyl 1-fluoroundecane-1-sulfonate
CID 175528772

Frequently Asked Questions

What is the IUPAC name of nonoxy-oxo-(2,3,4-trifluorobutyl)tin?
The IUPAC name of nonoxy-oxo-(2,3,4-trifluorobutyl)tin (CID 87370940) is nonoxy-oxo-(2,3,4-trifluorobutyl)tin.
What is the SMILES notation for nonoxy-oxo-(2,3,4-trifluorobutyl)tin?
The canonical SMILES for nonoxy-oxo-(2,3,4-trifluorobutyl)tin is CCCCCCCCCO[Sn](=O)CC(F)C(F)CF.
What is the InChIKey of nonoxy-oxo-(2,3,4-trifluorobutyl)tin?
The InChIKey is YPSIPHGFFVKXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O.C4H6F3.O.Sn/c1-2-3-4-5-6-7-8-9-10;1-3(6)4(7)2-5;;/h2-9H2,1H3;3-4H,1-2H2;;/q-1;;;+1.
What are the key properties of nonoxy-oxo-(2,3,4-trifluorobutyl)tin?
nonoxy-oxo-(2,3,4-trifluorobutyl)tin has a molecular weight of 389.05 g/mol, XLogP of 4.32, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonoxy-oxo-(2,3,4-trifluorobutyl)tin is sourced from PubChem (CID 87370940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).