5,6-difluoro-2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]-4,7-dimethylbenzotriazole

C19H29F2N3O2 — CID 142378540

IUPAC5,6-difluoro-2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]-4,7-dimethylbenzotriazole
SMILESCOC(C)(C)CCOC(C)(C)CCn1nc2c(C)c(F)c(F)c(C)c2n1
InChIInChI=1S/C19H29F2N3O2/c1-12-14(20)15(21)13(2)17-16(12)22-24(23-17)10-8-19(5,6)26-11-9-18(3,4)25-7/h8-11H2,1-7H3
InChIKeyMNFGDEDVDPUTRV-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.33
Rot. Bonds8

About 5,6-difluoro-2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]-4,7-dimethylbenzotriazole

5,6-difluoro-2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]-4,7-dimethylbenzotriazole (PubChem CID 142378540) has the molecular formula C19H29F2N3O2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 5,6-difluoro-2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]-4,7-dimethylbenzotriazole.

Molecular Properties

Compound Name5,6-difluoro-2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]-4,7-dimethylbenzotriazole
PubChem CID142378540
Molecular FormulaC19H29F2N3O2
Molecular Weight369.46 g/mol
Exact Mass369.22
IUPAC Name5,6-difluoro-2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]-4,7-dimethylbenzotriazole
SMILESCOC(C)(C)CCOC(C)(C)CCn1nc2c(C)c(F)c(F)c(C)c2n1
InChIInChI=1S/C19H29F2N3O2/c1-12-14(20)15(21)13(2)17-16(12)22-24(23-17)10-8-19(5,6)26-11-9-18(3,4)25-7/h8-11H2,1-7H3
InChIKeyMNFGDEDVDPUTRV-UHFFFAOYSA-N
XLogP4.33
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-Difluoro-4,7-dimethyl-2-octylbenzotriazole
CID 117708817
5,6-Difluoro-2-hexyl-4,7-dimethylbenzotriazole
CID 117708818
5,6-Difluoro-2-[2-(2-methoxyethoxy)ethyl]-4,7-dimethylbenzotriazole
CID 134597510
5,6-Difluoro-2-[3-(3-methoxy-3-methylbutoxy)butyl]-4,7-dimethylbenzotriazole
CID 142615497
2-Butyl-5,6-difluoro-4,7-dimethylbenzotriazole
CID 142615524
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
2-(3-Butoxy-3-methylbutyl)-5,6-difluoro-4,7-dimethylbenzotriazole
CID 142378501
2-(3-Butoxy-3-methylbutyl)-5,6-difluoro-4,7-dimethylbenzotriazole;ethane;methanol
CID 142378500
2-[2-(1-Methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole;propane
CID 145438770
2-[2-(1-Methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole
CID 142378516

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]-4,7-dimethylbenzotriazole?
The IUPAC name of 5,6-difluoro-2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]-4,7-dimethylbenzotriazole (CID 142378540) is 5,6-difluoro-2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]-4,7-dimethylbenzotriazole.
What is the SMILES notation for 5,6-difluoro-2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]-4,7-dimethylbenzotriazole?
The canonical SMILES for 5,6-difluoro-2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]-4,7-dimethylbenzotriazole is COC(C)(C)CCOC(C)(C)CCn1nc2c(C)c(F)c(F)c(C)c2n1.
What is the InChIKey of 5,6-difluoro-2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]-4,7-dimethylbenzotriazole?
The InChIKey is MNFGDEDVDPUTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F2N3O2/c1-12-14(20)15(21)13(2)17-16(12)22-24(23-17)10-8-19(5,6)26-11-9-18(3,4)25-7/h8-11H2,1-7H3.
What are the key properties of 5,6-difluoro-2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]-4,7-dimethylbenzotriazole?
5,6-difluoro-2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]-4,7-dimethylbenzotriazole has a molecular weight of 369.46 g/mol, XLogP of 4.33, 8 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-(3-methoxy-3-methylbutoxy)-3-methylbutyl]-4,7-dimethylbenzotriazole is sourced from PubChem (CID 142378540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).