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

C5H9F3O2Sn — CID 87371597

IUPACmethoxy-oxo-(2,3,4-trifluorobutyl)tin
SMILESCO[Sn](=O)CC(F)C(F)CF
InChIInChI=1S/C4H6F3.CH3O.O.Sn/c1-3(6)4(7)2-5;1-2;;/h3-4H,1-2H2;1H3;;/q;-1;;+1
InChIKeyRDIWDBNWBOPMIH-UHFFFAOYSA-N
MW276.83 g/mol
LogP1.20
Rot. Bonds5

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

methoxy-oxo-(2,3,4-trifluorobutyl)tin (PubChem CID 87371597) has the molecular formula C5H9F3O2Sn and a molecular weight of 276.83 g/mol. Its IUPAC name is methoxy-oxo-(2,3,4-trifluorobutyl)tin.

Molecular Properties

Compound Namemethoxy-oxo-(2,3,4-trifluorobutyl)tin
PubChem CID87371597
Molecular FormulaC5H9F3O2Sn
Molecular Weight276.83 g/mol
Exact Mass277.96
IUPAC Namemethoxy-oxo-(2,3,4-trifluorobutyl)tin
SMILESCO[Sn](=O)CC(F)C(F)CF
InChIInChI=1S/C4H6F3.CH3O.O.Sn/c1-3(6)4(7)2-5;1-2;;/h3-4H,1-2H2;1H3;;/q;-1;;+1
InChIKeyRDIWDBNWBOPMIH-UHFFFAOYSA-N
XLogP1.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.83
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methoxy-oxo-(2,3,4-trifluorobutyl)tin?
The IUPAC name of methoxy-oxo-(2,3,4-trifluorobutyl)tin (CID 87371597) is methoxy-oxo-(2,3,4-trifluorobutyl)tin.
What is the SMILES notation for methoxy-oxo-(2,3,4-trifluorobutyl)tin?
The canonical SMILES for methoxy-oxo-(2,3,4-trifluorobutyl)tin is CO[Sn](=O)CC(F)C(F)CF.
What is the InChIKey of methoxy-oxo-(2,3,4-trifluorobutyl)tin?
The InChIKey is RDIWDBNWBOPMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3.CH3O.O.Sn/c1-3(6)4(7)2-5;1-2;;/h3-4H,1-2H2;1H3;;/q;-1;;+1.
What are the key properties of methoxy-oxo-(2,3,4-trifluorobutyl)tin?
methoxy-oxo-(2,3,4-trifluorobutyl)tin has a molecular weight of 276.83 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-oxo-(2,3,4-trifluorobutyl)tin is sourced from PubChem (CID 87371597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).