5,6-difluoro-2-[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]benzotriazole

C16H23F2N3O2 — CID 170268301

IUPAC5,6-difluoro-2-[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]benzotriazole
SMILESCOC(C)(C)COC(C)(C)CCn1nc2cc(F)c(F)cc2n1
InChIInChI=1S/C16H23F2N3O2/c1-15(2,23-10-16(3,4)22-5)6-7-21-19-13-8-11(17)12(18)9-14(13)20-21/h8-9H,6-7,10H2,1-5H3
InChIKeyCJPLRHNFBPIXIO-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.32
Rot. Bonds7

About 5,6-difluoro-2-[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]benzotriazole

5,6-difluoro-2-[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]benzotriazole (PubChem CID 170268301) has the molecular formula C16H23F2N3O2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5,6-difluoro-2-[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]benzotriazole.

Molecular Properties

Compound Name5,6-difluoro-2-[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]benzotriazole
PubChem CID170268301
Molecular FormulaC16H23F2N3O2
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC Name5,6-difluoro-2-[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]benzotriazole
SMILESCOC(C)(C)COC(C)(C)CCn1nc2cc(F)c(F)cc2n1
InChIInChI=1S/C16H23F2N3O2/c1-15(2,23-10-16(3,4)22-5)6-7-21-19-13-8-11(17)12(18)9-14(13)20-21/h8-9H,6-7,10H2,1-5H3
InChIKeyCJPLRHNFBPIXIO-UHFFFAOYSA-N
XLogP3.32
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-butyloctyl)-5,6-difluoro-2H-benzo[d][1,2,3] triazole
CID 66780948
2-butyl-5,6-Difluoro-1,2,3-benzotriazole
CID 118197396
5,6-Difluoro-2-propylbenzotriazole
CID 132017731
2-(2-Ethylhexyl)-5,6-difluoro-2H-benzo[d][1,2,3]triazole
CID 139034815
2-Dodecyl-5,6-difluorobenzotriazole
CID 141395133
5,6-Difluoro-4,7-diiodo-2-[3-(3-methoxybutoxy)-3-methylbutyl]benzotriazole
CID 153401719
5,6-Difluoro-4,7-diiodo-2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]benzotriazole
CID 153401731
4-Fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzotriazole
CID 170593500
5-Fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzotriazole
CID 178051035
5,6-Difluoro-2-propan-2-ylbenzotriazole
CID 178058781
2-(2,3-Diacetoxypropyl)benzotriazole
CID 129789794
2-(3,3-Diethoxypropyl)-2h-benzotriazole
CID 129824216

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]benzotriazole?
The IUPAC name of 5,6-difluoro-2-[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]benzotriazole (CID 170268301) is 5,6-difluoro-2-[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]benzotriazole.
What is the SMILES notation for 5,6-difluoro-2-[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]benzotriazole?
The canonical SMILES for 5,6-difluoro-2-[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]benzotriazole is COC(C)(C)COC(C)(C)CCn1nc2cc(F)c(F)cc2n1.
What is the InChIKey of 5,6-difluoro-2-[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]benzotriazole?
The InChIKey is CJPLRHNFBPIXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O2/c1-15(2,23-10-16(3,4)22-5)6-7-21-19-13-8-11(17)12(18)9-14(13)20-21/h8-9H,6-7,10H2,1-5H3.
What are the key properties of 5,6-difluoro-2-[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]benzotriazole?
5,6-difluoro-2-[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]benzotriazole has a molecular weight of 327.38 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2-[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]benzotriazole is sourced from PubChem (CID 170268301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).