tert-butyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]tin

C8H12FNSSn — CID 141001747

IUPACtert-butyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]tin
SMILESCC(C)(C)[Sn]c1csc(CF)n1
InChIInChI=1S/C4H3FNS.C4H9.Sn/c5-3-4-6-1-2-7-4;1-4(2)3;/h2H,3H2;1-3H3;
InChIKeyLTMXYTRLLYFVRT-UHFFFAOYSA-N
MW291.97 g/mol
LogP2.16
Rot. Bonds2

About tert-butyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]tin

tert-butyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]tin (PubChem CID 141001747) has the molecular formula C8H12FNSSn and a molecular weight of 291.97 g/mol. Its IUPAC name is tert-butyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]tin.

Molecular Properties

Compound Nametert-butyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]tin
PubChem CID141001747
Molecular FormulaC8H12FNSSn
Molecular Weight291.97 g/mol
Exact Mass292.97
IUPAC Nametert-butyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]tin
SMILESCC(C)(C)[Sn]c1csc(CF)n1
InChIInChI=1S/C4H3FNS.C4H9.Sn/c5-3-4-6-1-2-7-4;1-4(2)3;/h2H,3H2;1-3H3;
InChIKeyLTMXYTRLLYFVRT-UHFFFAOYSA-N
XLogP2.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.97
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]tin?
The IUPAC name of tert-butyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]tin (CID 141001747) is tert-butyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]tin.
What is the SMILES notation for tert-butyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]tin?
The canonical SMILES for tert-butyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]tin is CC(C)(C)[Sn]c1csc(CF)n1.
What is the InChIKey of tert-butyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]tin?
The InChIKey is LTMXYTRLLYFVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FNS.C4H9.Sn/c5-3-4-6-1-2-7-4;1-4(2)3;/h2H,3H2;1-3H3;.
What are the key properties of tert-butyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]tin?
tert-butyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]tin has a molecular weight of 291.97 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]tin is sourced from PubChem (CID 141001747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).