[6,7-dimethyl-5-(trifluoromethyl)-2,1,3-benzoxadiazol-4-yl]-trimethylstannane

C12H15F3N2OSn — CID 160703767

IUPAC[6,7-dimethyl-5-(trifluoromethyl)-2,1,3-benzoxadiazol-4-yl]-trimethylstannane
SMILESCc1c(C(F)(F)F)c([Sn](C)(C)C)c2nonc2c1C
InChIInChI=1S/C9H6F3N2O.3CH3.Sn/c1-4-5(2)8-7(13-15-14-8)3-6(4)9(10,11)12;;;;/h1-2H3;3*1H3;
InChIKeyRCASGSXAZWFTFL-UHFFFAOYSA-N
MW378.97 g/mol
LogP3.40
Rot. Bonds1

About [6,7-dimethyl-5-(trifluoromethyl)-2,1,3-benzoxadiazol-4-yl]-trimethylstannane

[6,7-dimethyl-5-(trifluoromethyl)-2,1,3-benzoxadiazol-4-yl]-trimethylstannane (PubChem CID 160703767) has the molecular formula C12H15F3N2OSn and a molecular weight of 378.97 g/mol. Its IUPAC name is [6,7-dimethyl-5-(trifluoromethyl)-2,1,3-benzoxadiazol-4-yl]-trimethylstannane.

Molecular Properties

Compound Name[6,7-dimethyl-5-(trifluoromethyl)-2,1,3-benzoxadiazol-4-yl]-trimethylstannane
PubChem CID160703767
Molecular FormulaC12H15F3N2OSn
Molecular Weight378.97 g/mol
Exact Mass380.02
IUPAC Name[6,7-dimethyl-5-(trifluoromethyl)-2,1,3-benzoxadiazol-4-yl]-trimethylstannane
SMILESCc1c(C(F)(F)F)c([Sn](C)(C)C)c2nonc2c1C
InChIInChI=1S/C9H6F3N2O.3CH3.Sn/c1-4-5(2)8-7(13-15-14-8)3-6(4)9(10,11)12;;;;/h1-2H3;3*1H3;
InChIKeyRCASGSXAZWFTFL-UHFFFAOYSA-N
XLogP3.40
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.97
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6,7-dimethyl-5-(trifluoromethyl)-2,1,3-benzoxadiazol-4-yl]-trimethylstannane?
The IUPAC name of [6,7-dimethyl-5-(trifluoromethyl)-2,1,3-benzoxadiazol-4-yl]-trimethylstannane (CID 160703767) is [6,7-dimethyl-5-(trifluoromethyl)-2,1,3-benzoxadiazol-4-yl]-trimethylstannane.
What is the SMILES notation for [6,7-dimethyl-5-(trifluoromethyl)-2,1,3-benzoxadiazol-4-yl]-trimethylstannane?
The canonical SMILES for [6,7-dimethyl-5-(trifluoromethyl)-2,1,3-benzoxadiazol-4-yl]-trimethylstannane is Cc1c(C(F)(F)F)c([Sn](C)(C)C)c2nonc2c1C.
What is the InChIKey of [6,7-dimethyl-5-(trifluoromethyl)-2,1,3-benzoxadiazol-4-yl]-trimethylstannane?
The InChIKey is RCASGSXAZWFTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N2O.3CH3.Sn/c1-4-5(2)8-7(13-15-14-8)3-6(4)9(10,11)12;;;;/h1-2H3;3*1H3;.
What are the key properties of [6,7-dimethyl-5-(trifluoromethyl)-2,1,3-benzoxadiazol-4-yl]-trimethylstannane?
[6,7-dimethyl-5-(trifluoromethyl)-2,1,3-benzoxadiazol-4-yl]-trimethylstannane has a molecular weight of 378.97 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6,7-dimethyl-5-(trifluoromethyl)-2,1,3-benzoxadiazol-4-yl]-trimethylstannane is sourced from PubChem (CID 160703767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).