5-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzotriazole

C14H7F6N3O2 — CID 171483142

IUPAC5-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzotriazole
SMILESFC(F)(F)Oc1ccc(-n2nc3ccc(OC(F)(F)F)cc3n2)cc1
InChIInChI=1S/C14H7F6N3O2/c15-13(16,17)24-9-3-1-8(2-4-9)23-21-11-6-5-10(7-12(11)22-23)25-14(18,19)20/h1-7H
InChIKeyUCCGDLPHKGEZKW-UHFFFAOYSA-N
MW363.22 g/mol
LogP4.22
Rot. Bonds3

About 5-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzotriazole

5-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzotriazole (PubChem CID 171483142) has the molecular formula C14H7F6N3O2 and a molecular weight of 363.22 g/mol. Its IUPAC name is 5-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzotriazole.

Molecular Properties

Compound Name5-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzotriazole
PubChem CID171483142
Molecular FormulaC14H7F6N3O2
Molecular Weight363.22 g/mol
Exact Mass363.04
IUPAC Name5-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzotriazole
SMILESFC(F)(F)Oc1ccc(-n2nc3ccc(OC(F)(F)F)cc3n2)cc1
InChIInChI=1S/C14H7F6N3O2/c15-13(16,17)24-9-3-1-8(2-4-9)23-21-11-6-5-10(7-12(11)22-23)25-14(18,19)20/h1-7H
InChIKeyUCCGDLPHKGEZKW-UHFFFAOYSA-N
XLogP4.22
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzotriazole?
The IUPAC name of 5-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzotriazole (CID 171483142) is 5-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzotriazole.
What is the SMILES notation for 5-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzotriazole?
The canonical SMILES for 5-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzotriazole is FC(F)(F)Oc1ccc(-n2nc3ccc(OC(F)(F)F)cc3n2)cc1.
What is the InChIKey of 5-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzotriazole?
The InChIKey is UCCGDLPHKGEZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F6N3O2/c15-13(16,17)24-9-3-1-8(2-4-9)23-21-11-6-5-10(7-12(11)22-23)25-14(18,19)20/h1-7H.
What are the key properties of 5-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzotriazole?
5-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzotriazole has a molecular weight of 363.22 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzotriazole is sourced from PubChem (CID 171483142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).