6-[5,6-difluoro-4,7-bis(trimethylsilyl)benzotriazol-2-yl]hexyl-methyl-bis(trimethylsilyloxy)silane

C25H51F2N3O2Si5 — CID 163284789

IUPAC6-[5,6-difluoro-4,7-bis(trimethylsilyl)benzotriazol-2-yl]hexyl-methyl-bis(trimethylsilyloxy)silane
SMILESC[Si](C)(C)O[Si](C)(CCCCCCn1nc2c([Si](C)(C)C)c(F)c(F)c([Si](C)(C)C)c2n1)O[Si](C)(C)C
InChIInChI=1S/C25H51F2N3O2Si5/c1-33(2,3)24-20(26)21(27)25(34(4,5)6)23-22(24)28-30(29-23)18-16-14-15-17-19-37(13,31-35(7,8)9)32-36(10,11)12/h14-19H2,1-13H3
InChIKeyNNMVBHCWPWNMON-UHFFFAOYSA-N
MW604.13 g/mol
LogP7.14
Rot. Bonds13

About 6-[5,6-difluoro-4,7-bis(trimethylsilyl)benzotriazol-2-yl]hexyl-methyl-bis(trimethylsilyloxy)silane

6-[5,6-difluoro-4,7-bis(trimethylsilyl)benzotriazol-2-yl]hexyl-methyl-bis(trimethylsilyloxy)silane (PubChem CID 163284789) has the molecular formula C25H51F2N3O2Si5 and a molecular weight of 604.13 g/mol. Its IUPAC name is 6-[5,6-difluoro-4,7-bis(trimethylsilyl)benzotriazol-2-yl]hexyl-methyl-bis(trimethylsilyloxy)silane.

Molecular Properties

Compound Name6-[5,6-difluoro-4,7-bis(trimethylsilyl)benzotriazol-2-yl]hexyl-methyl-bis(trimethylsilyloxy)silane
PubChem CID163284789
Molecular FormulaC25H51F2N3O2Si5
Molecular Weight604.13 g/mol
Exact Mass603.28
IUPAC Name6-[5,6-difluoro-4,7-bis(trimethylsilyl)benzotriazol-2-yl]hexyl-methyl-bis(trimethylsilyloxy)silane
SMILESC[Si](C)(C)O[Si](C)(CCCCCCn1nc2c([Si](C)(C)C)c(F)c(F)c([Si](C)(C)C)c2n1)O[Si](C)(C)C
InChIInChI=1S/C25H51F2N3O2Si5/c1-33(2,3)24-20(26)21(27)25(34(4,5)6)23-22(24)28-30(29-23)18-16-14-15-17-19-37(13,31-35(7,8)9)32-36(10,11)12/h14-19H2,1-13H3
InChIKeyNNMVBHCWPWNMON-UHFFFAOYSA-N
XLogP7.14
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.13
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[5,6-difluoro-4,7-bis(trimethylsilyl)benzotriazol-2-yl]hexyl-methyl-bis(trimethylsilyloxy)silane with MolForge

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

Launch Full Analysis

Related Compounds

(5,6-Difluoro-4-triethylsilyl-2,1,3-benzothiadiazol-7-yl)-triethylsilane
CID 132934759
2-Dodecyl-5,6-difluoro-4,7-diiodobenzotriazole
CID 132595356
6-(4,7-Dibromo-5,6-difluorobenzotriazol-2-yl)hexyl-methyl-bis(trimethylsilyloxy)silane
CID 163284790
6-(5,6-Difluorobenzotriazol-2-yl)hexyl-methyl-bis(trimethylsilyloxy)silane
CID 163284791
(2-Hex-5-enyl-7-trimethylsilylbenzotriazol-4-yl)-trimethylsilane
CID 176299356
Trimethyl-[2-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]-7-trimethylsilylbenzotriazol-4-yl]silane
CID 176897869

Frequently Asked Questions

What is the IUPAC name of 6-[5,6-difluoro-4,7-bis(trimethylsilyl)benzotriazol-2-yl]hexyl-methyl-bis(trimethylsilyloxy)silane?
The IUPAC name of 6-[5,6-difluoro-4,7-bis(trimethylsilyl)benzotriazol-2-yl]hexyl-methyl-bis(trimethylsilyloxy)silane (CID 163284789) is 6-[5,6-difluoro-4,7-bis(trimethylsilyl)benzotriazol-2-yl]hexyl-methyl-bis(trimethylsilyloxy)silane.
What is the SMILES notation for 6-[5,6-difluoro-4,7-bis(trimethylsilyl)benzotriazol-2-yl]hexyl-methyl-bis(trimethylsilyloxy)silane?
The canonical SMILES for 6-[5,6-difluoro-4,7-bis(trimethylsilyl)benzotriazol-2-yl]hexyl-methyl-bis(trimethylsilyloxy)silane is C[Si](C)(C)O[Si](C)(CCCCCCn1nc2c([Si](C)(C)C)c(F)c(F)c([Si](C)(C)C)c2n1)O[Si](C)(C)C.
What is the InChIKey of 6-[5,6-difluoro-4,7-bis(trimethylsilyl)benzotriazol-2-yl]hexyl-methyl-bis(trimethylsilyloxy)silane?
The InChIKey is NNMVBHCWPWNMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51F2N3O2Si5/c1-33(2,3)24-20(26)21(27)25(34(4,5)6)23-22(24)28-30(29-23)18-16-14-15-17-19-37(13,31-35(7,8)9)32-36(10,11)12/h14-19H2,1-13H3.
What are the key properties of 6-[5,6-difluoro-4,7-bis(trimethylsilyl)benzotriazol-2-yl]hexyl-methyl-bis(trimethylsilyloxy)silane?
6-[5,6-difluoro-4,7-bis(trimethylsilyl)benzotriazol-2-yl]hexyl-methyl-bis(trimethylsilyloxy)silane has a molecular weight of 604.13 g/mol, XLogP of 7.14, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5,6-difluoro-4,7-bis(trimethylsilyl)benzotriazol-2-yl]hexyl-methyl-bis(trimethylsilyloxy)silane is sourced from PubChem (CID 163284789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).