2-(2-ethylhexyl)-5,6-difluorobenzotriazole

C14H19F2N3 — CID 139034815

IUPAC2-(2-ethylhexyl)-5,6-difluorobenzotriazole
SMILESCCCCC(CC)Cn1nc2cc(F)c(F)cc2n1
InChIInChI=1S/C14H19F2N3/c1-3-5-6-10(4-2)9-19-17-13-7-11(15)12(16)8-14(13)18-19/h7-8,10H,3-6,9H2,1-2H3
InChIKeyOYIMIEAGVYOOBK-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.93
Rot. Bonds6

About 2-(2-ethylhexyl)-5,6-difluorobenzotriazole

2-(2-ethylhexyl)-5,6-difluorobenzotriazole (PubChem CID 139034815) has the molecular formula C14H19F2N3 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-(2-ethylhexyl)-5,6-difluorobenzotriazole.

Molecular Properties

Compound Name2-(2-ethylhexyl)-5,6-difluorobenzotriazole
PubChem CID139034815
Molecular FormulaC14H19F2N3
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-(2-ethylhexyl)-5,6-difluorobenzotriazole
SMILESCCCCC(CC)Cn1nc2cc(F)c(F)cc2n1
InChIInChI=1S/C14H19F2N3/c1-3-5-6-10(4-2)9-19-17-13-7-11(15)12(16)8-14(13)18-19/h7-8,10H,3-6,9H2,1-2H3
InChIKeyOYIMIEAGVYOOBK-UHFFFAOYSA-N
XLogP3.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexyl)-5,6-difluorobenzotriazole?
The IUPAC name of 2-(2-ethylhexyl)-5,6-difluorobenzotriazole (CID 139034815) is 2-(2-ethylhexyl)-5,6-difluorobenzotriazole.
What is the SMILES notation for 2-(2-ethylhexyl)-5,6-difluorobenzotriazole?
The canonical SMILES for 2-(2-ethylhexyl)-5,6-difluorobenzotriazole is CCCCC(CC)Cn1nc2cc(F)c(F)cc2n1.
What is the InChIKey of 2-(2-ethylhexyl)-5,6-difluorobenzotriazole?
The InChIKey is OYIMIEAGVYOOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3/c1-3-5-6-10(4-2)9-19-17-13-7-11(15)12(16)8-14(13)18-19/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 2-(2-ethylhexyl)-5,6-difluorobenzotriazole?
2-(2-ethylhexyl)-5,6-difluorobenzotriazole has a molecular weight of 267.32 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexyl)-5,6-difluorobenzotriazole is sourced from PubChem (CID 139034815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).