(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)-trimethylstannane

C10H13FN2OSn — CID 159339071

IUPAC(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)-trimethylstannane
SMILESCc1cc(F)c([Sn](C)(C)C)c2nonc12
InChIInChI=1S/C7H4FN2O.3CH3.Sn/c1-4-2-5(8)3-6-7(4)10-11-9-6;;;;/h2H,1H3;3*1H3;
InChIKeySPJFTQVXPZRGLN-UHFFFAOYSA-N
MW314.94 g/mol
LogP2.22
Rot. Bonds1

About (5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)-trimethylstannane

(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)-trimethylstannane (PubChem CID 159339071) has the molecular formula C10H13FN2OSn and a molecular weight of 314.94 g/mol. Its IUPAC name is (5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)-trimethylstannane.

Molecular Properties

Compound Name(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)-trimethylstannane
PubChem CID159339071
Molecular FormulaC10H13FN2OSn
Molecular Weight314.94 g/mol
Exact Mass316.00
IUPAC Name(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)-trimethylstannane
SMILESCc1cc(F)c([Sn](C)(C)C)c2nonc12
InChIInChI=1S/C7H4FN2O.3CH3.Sn/c1-4-2-5(8)3-6-7(4)10-11-9-6;;;;/h2H,1H3;3*1H3;
InChIKeySPJFTQVXPZRGLN-UHFFFAOYSA-N
XLogP2.22
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.94
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)-trimethylstannane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)-trimethylstannane?
The IUPAC name of (5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)-trimethylstannane (CID 159339071) is (5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)-trimethylstannane.
What is the SMILES notation for (5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)-trimethylstannane?
The canonical SMILES for (5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)-trimethylstannane is Cc1cc(F)c([Sn](C)(C)C)c2nonc12.
What is the InChIKey of (5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)-trimethylstannane?
The InChIKey is SPJFTQVXPZRGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN2O.3CH3.Sn/c1-4-2-5(8)3-6-7(4)10-11-9-6;;;;/h2H,1H3;3*1H3;.
What are the key properties of (5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)-trimethylstannane?
(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)-trimethylstannane has a molecular weight of 314.94 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)-trimethylstannane is sourced from PubChem (CID 159339071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).