1-phenyl-4,5-bis(trifluoromethyl)triazole

C10H5F6N3 — CID 12669189

IUPAC1-phenyl-4,5-bis(trifluoromethyl)triazole
SMILESFC(F)(F)c1nnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C10H5F6N3/c11-9(12,13)7-8(10(14,15)16)19(18-17-7)6-4-2-1-3-5-6/h1-5H
InChIKeyQQBYJQOEUDPIDM-UHFFFAOYSA-N
MW281.16 g/mol
LogP3.30
Rot. Bonds1

About 1-phenyl-4,5-bis(trifluoromethyl)triazole

1-phenyl-4,5-bis(trifluoromethyl)triazole (PubChem CID 12669189) has the molecular formula C10H5F6N3 and a molecular weight of 281.16 g/mol. Its IUPAC name is 1-phenyl-4,5-bis(trifluoromethyl)triazole.

Molecular Properties

Compound Name1-phenyl-4,5-bis(trifluoromethyl)triazole
PubChem CID12669189
Molecular FormulaC10H5F6N3
Molecular Weight281.16 g/mol
Exact Mass281.04
IUPAC Name1-phenyl-4,5-bis(trifluoromethyl)triazole
SMILESFC(F)(F)c1nnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C10H5F6N3/c11-9(12,13)7-8(10(14,15)16)19(18-17-7)6-4-2-1-3-5-6/h1-5H
InChIKeyQQBYJQOEUDPIDM-UHFFFAOYSA-N
XLogP3.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4,5-bis(trifluoromethyl)triazole?
The IUPAC name of 1-phenyl-4,5-bis(trifluoromethyl)triazole (CID 12669189) is 1-phenyl-4,5-bis(trifluoromethyl)triazole.
What is the SMILES notation for 1-phenyl-4,5-bis(trifluoromethyl)triazole?
The canonical SMILES for 1-phenyl-4,5-bis(trifluoromethyl)triazole is FC(F)(F)c1nnn(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of 1-phenyl-4,5-bis(trifluoromethyl)triazole?
The InChIKey is QQBYJQOEUDPIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F6N3/c11-9(12,13)7-8(10(14,15)16)19(18-17-7)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 1-phenyl-4,5-bis(trifluoromethyl)triazole?
1-phenyl-4,5-bis(trifluoromethyl)triazole has a molecular weight of 281.16 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4,5-bis(trifluoromethyl)triazole is sourced from PubChem (CID 12669189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).