[1-(carboxymethyl)triazol-4-yl]methyl-[(1,2,3-trifluorocyclobut-2-en-1-yl)methyl]tin

C10H10F3N3O2Sn — CID 140635330

IUPAC[1-(carboxymethyl)triazol-4-yl]methyl-[(1,2,3-trifluorocyclobut-2-en-1-yl)methyl]tin
SMILESO=C(O)Cn1cc(C[Sn]CC2(F)CC(F)=C2F)nn1
InChIInChI=1S/C5H4F3.C5H6N3O2.Sn/c1-5(8)2-3(6)4(5)7;1-4-2-8(7-6-4)3-5(9)10;/h1-2H2;2H,1,3H2,(H,9,10);
InChIKeyULWOOEYGHPBSBJ-UHFFFAOYSA-N
MW379.91 g/mol
LogP1.25
Rot. Bonds6

About [1-(carboxymethyl)triazol-4-yl]methyl-[(1,2,3-trifluorocyclobut-2-en-1-yl)methyl]tin

[1-(carboxymethyl)triazol-4-yl]methyl-[(1,2,3-trifluorocyclobut-2-en-1-yl)methyl]tin (PubChem CID 140635330) has the molecular formula C10H10F3N3O2Sn and a molecular weight of 379.91 g/mol. Its IUPAC name is [1-(carboxymethyl)triazol-4-yl]methyl-[(1,2,3-trifluorocyclobut-2-en-1-yl)methyl]tin.

Molecular Properties

Compound Name[1-(carboxymethyl)triazol-4-yl]methyl-[(1,2,3-trifluorocyclobut-2-en-1-yl)methyl]tin
PubChem CID140635330
Molecular FormulaC10H10F3N3O2Sn
Molecular Weight379.91 g/mol
Exact Mass380.97
IUPAC Name[1-(carboxymethyl)triazol-4-yl]methyl-[(1,2,3-trifluorocyclobut-2-en-1-yl)methyl]tin
SMILESO=C(O)Cn1cc(C[Sn]CC2(F)CC(F)=C2F)nn1
InChIInChI=1S/C5H4F3.C5H6N3O2.Sn/c1-5(8)2-3(6)4(5)7;1-4-2-8(7-6-4)3-5(9)10;/h1-2H2;2H,1,3H2,(H,9,10);
InChIKeyULWOOEYGHPBSBJ-UHFFFAOYSA-N
XLogP1.25
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(carboxymethyl)triazol-4-yl]methyl-[(1,2,3-trifluorocyclobut-2-en-1-yl)methyl]tin?
The IUPAC name of [1-(carboxymethyl)triazol-4-yl]methyl-[(1,2,3-trifluorocyclobut-2-en-1-yl)methyl]tin (CID 140635330) is [1-(carboxymethyl)triazol-4-yl]methyl-[(1,2,3-trifluorocyclobut-2-en-1-yl)methyl]tin.
What is the SMILES notation for [1-(carboxymethyl)triazol-4-yl]methyl-[(1,2,3-trifluorocyclobut-2-en-1-yl)methyl]tin?
The canonical SMILES for [1-(carboxymethyl)triazol-4-yl]methyl-[(1,2,3-trifluorocyclobut-2-en-1-yl)methyl]tin is O=C(O)Cn1cc(C[Sn]CC2(F)CC(F)=C2F)nn1.
What is the InChIKey of [1-(carboxymethyl)triazol-4-yl]methyl-[(1,2,3-trifluorocyclobut-2-en-1-yl)methyl]tin?
The InChIKey is ULWOOEYGHPBSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3.C5H6N3O2.Sn/c1-5(8)2-3(6)4(5)7;1-4-2-8(7-6-4)3-5(9)10;/h1-2H2;2H,1,3H2,(H,9,10);.
What are the key properties of [1-(carboxymethyl)triazol-4-yl]methyl-[(1,2,3-trifluorocyclobut-2-en-1-yl)methyl]tin?
[1-(carboxymethyl)triazol-4-yl]methyl-[(1,2,3-trifluorocyclobut-2-en-1-yl)methyl]tin has a molecular weight of 379.91 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(carboxymethyl)triazol-4-yl]methyl-[(1,2,3-trifluorocyclobut-2-en-1-yl)methyl]tin is sourced from PubChem (CID 140635330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).