[1-[3,4-dichloro-5-(trifluoromethyl)phenyl]triazol-4-yl]-trimethylsilane

C12H12Cl2F3N3Si — CID 159516371

IUPAC[1-[3,4-dichloro-5-(trifluoromethyl)phenyl]triazol-4-yl]-trimethylsilane
SMILESC[Si](C)(C)c1cn(-c2cc(Cl)c(Cl)c(C(F)(F)F)c2)nn1
InChIInChI=1S/C12H12Cl2F3N3Si/c1-21(2,3)10-6-20(19-18-10)7-4-8(12(15,16)17)11(14)9(13)5-7/h4-6H,1-3H3
InChIKeyHOXZCTCFZPYYRE-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.14
Rot. Bonds2

About [1-[3,4-dichloro-5-(trifluoromethyl)phenyl]triazol-4-yl]-trimethylsilane

[1-[3,4-dichloro-5-(trifluoromethyl)phenyl]triazol-4-yl]-trimethylsilane (PubChem CID 159516371) has the molecular formula C12H12Cl2F3N3Si and a molecular weight of 354.24 g/mol. Its IUPAC name is [1-[3,4-dichloro-5-(trifluoromethyl)phenyl]triazol-4-yl]-trimethylsilane.

Molecular Properties

Compound Name[1-[3,4-dichloro-5-(trifluoromethyl)phenyl]triazol-4-yl]-trimethylsilane
PubChem CID159516371
Molecular FormulaC12H12Cl2F3N3Si
Molecular Weight354.24 g/mol
Exact Mass353.01
IUPAC Name[1-[3,4-dichloro-5-(trifluoromethyl)phenyl]triazol-4-yl]-trimethylsilane
SMILESC[Si](C)(C)c1cn(-c2cc(Cl)c(Cl)c(C(F)(F)F)c2)nn1
InChIInChI=1S/C12H12Cl2F3N3Si/c1-21(2,3)10-6-20(19-18-10)7-4-8(12(15,16)17)11(14)9(13)5-7/h4-6H,1-3H3
InChIKeyHOXZCTCFZPYYRE-UHFFFAOYSA-N
XLogP4.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

dichloro-[3,4-dichloro-5-(trifluoromethyl)phenyl]-methylsilane
CID 131882417
1,2-dichloro-5-fluoro-3-(trifluoromethyl)benzene
CID 119018682
4-(4-trimethylsilyltriazol-1-yl)benzonitrile
CID 15121756
(1-tert-butyltriazol-4-yl)-trimethylsilane
CID 15802956
N-[[1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methyl]cyclopropanamine
CID 66205668
[1-[4-methyl-3-(trifluoromethyl)phenyl]triazol-4-yl]methanamine
CID 55029966
[1-(4-chloro-2-nitrophenyl)triazol-4-yl]-trimethylsilane
CID 162758143
2-[1-[3-chloro-5-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-amine
CID 116700797
1,2,4-trichloro-3-fluoro-5-(trifluoromethyl)benzene
CID 23233529
1-[3,4-dichloro-5-(trifluoromethyl)phenyl]ethanone
CID 70700251
N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methyl]propan-2-amine
CID 66204268
3,4-dichloro-5-(trifluoromethyl)benzonitrile
CID 71384965

Frequently Asked Questions

What is the IUPAC name of [1-[3,4-dichloro-5-(trifluoromethyl)phenyl]triazol-4-yl]-trimethylsilane?
The IUPAC name of [1-[3,4-dichloro-5-(trifluoromethyl)phenyl]triazol-4-yl]-trimethylsilane (CID 159516371) is [1-[3,4-dichloro-5-(trifluoromethyl)phenyl]triazol-4-yl]-trimethylsilane.
What is the SMILES notation for [1-[3,4-dichloro-5-(trifluoromethyl)phenyl]triazol-4-yl]-trimethylsilane?
The canonical SMILES for [1-[3,4-dichloro-5-(trifluoromethyl)phenyl]triazol-4-yl]-trimethylsilane is C[Si](C)(C)c1cn(-c2cc(Cl)c(Cl)c(C(F)(F)F)c2)nn1.
What is the InChIKey of [1-[3,4-dichloro-5-(trifluoromethyl)phenyl]triazol-4-yl]-trimethylsilane?
The InChIKey is HOXZCTCFZPYYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2F3N3Si/c1-21(2,3)10-6-20(19-18-10)7-4-8(12(15,16)17)11(14)9(13)5-7/h4-6H,1-3H3.
What are the key properties of [1-[3,4-dichloro-5-(trifluoromethyl)phenyl]triazol-4-yl]-trimethylsilane?
[1-[3,4-dichloro-5-(trifluoromethyl)phenyl]triazol-4-yl]-trimethylsilane has a molecular weight of 354.24 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3,4-dichloro-5-(trifluoromethyl)phenyl]triazol-4-yl]-trimethylsilane is sourced from PubChem (CID 159516371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).