1-(4-bromophenyl)-4-(trifluoromethyl)triazole

C9H5BrF3N3 — CID 165447875

IUPAC1-(4-bromophenyl)-4-(trifluoromethyl)triazole
SMILESFC(F)(F)c1cn(-c2ccc(Br)cc2)nn1
InChIInChI=1S/C9H5BrF3N3/c10-6-1-3-7(4-2-6)16-5-8(14-15-16)9(11,12)13/h1-5H
InChIKeyGFGGDCBTICSHHX-UHFFFAOYSA-N
MW292.06 g/mol
LogP3.05
Rot. Bonds1

About 1-(4-bromophenyl)-4-(trifluoromethyl)triazole

1-(4-bromophenyl)-4-(trifluoromethyl)triazole (PubChem CID 165447875) has the molecular formula C9H5BrF3N3 and a molecular weight of 292.06 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-(trifluoromethyl)triazole.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-(trifluoromethyl)triazole
PubChem CID165447875
Molecular FormulaC9H5BrF3N3
Molecular Weight292.06 g/mol
Exact Mass290.96
IUPAC Name1-(4-bromophenyl)-4-(trifluoromethyl)triazole
SMILESFC(F)(F)c1cn(-c2ccc(Br)cc2)nn1
InChIInChI=1S/C9H5BrF3N3/c10-6-1-3-7(4-2-6)16-5-8(14-15-16)9(11,12)13/h1-5H
InChIKeyGFGGDCBTICSHHX-UHFFFAOYSA-N
XLogP3.05
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.06
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-(trifluoromethyl)triazole?
The IUPAC name of 1-(4-bromophenyl)-4-(trifluoromethyl)triazole (CID 165447875) is 1-(4-bromophenyl)-4-(trifluoromethyl)triazole.
What is the SMILES notation for 1-(4-bromophenyl)-4-(trifluoromethyl)triazole?
The canonical SMILES for 1-(4-bromophenyl)-4-(trifluoromethyl)triazole is FC(F)(F)c1cn(-c2ccc(Br)cc2)nn1.
What is the InChIKey of 1-(4-bromophenyl)-4-(trifluoromethyl)triazole?
The InChIKey is GFGGDCBTICSHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF3N3/c10-6-1-3-7(4-2-6)16-5-8(14-15-16)9(11,12)13/h1-5H.
What are the key properties of 1-(4-bromophenyl)-4-(trifluoromethyl)triazole?
1-(4-bromophenyl)-4-(trifluoromethyl)triazole has a molecular weight of 292.06 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-(trifluoromethyl)triazole is sourced from PubChem (CID 165447875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).