1-(1,1,2,3,3,3-hexafluoropropyl)-4,5-diphenyltriazole

C17H11F6N3 — CID 606021

IUPAC1-(1,1,2,3,3,3-hexafluoropropyl)-4,5-diphenyltriazole
SMILESFC(C(F)(F)F)C(F)(F)n1nnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H11F6N3/c18-15(16(19,20)21)17(22,23)26-14(12-9-5-2-6-10-12)13(24-25-26)11-7-3-1-4-8-11/h1-10,15H
InChIKeyDRZGOYYHCXIHCZ-UHFFFAOYSA-N
MW371.28 g/mol
LogP5.06
Rot. Bonds4

About 1-(1,1,2,3,3,3-hexafluoropropyl)-4,5-diphenyltriazole

1-(1,1,2,3,3,3-hexafluoropropyl)-4,5-diphenyltriazole (PubChem CID 606021) has the molecular formula C17H11F6N3 and a molecular weight of 371.28 g/mol. Its IUPAC name is 1-(1,1,2,3,3,3-hexafluoropropyl)-4,5-diphenyltriazole.

Molecular Properties

Compound Name1-(1,1,2,3,3,3-hexafluoropropyl)-4,5-diphenyltriazole
PubChem CID606021
Molecular FormulaC17H11F6N3
Molecular Weight371.28 g/mol
Exact Mass371.09
IUPAC Name1-(1,1,2,3,3,3-hexafluoropropyl)-4,5-diphenyltriazole
SMILESFC(C(F)(F)F)C(F)(F)n1nnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H11F6N3/c18-15(16(19,20)21)17(22,23)26-14(12-9-5-2-6-10-12)13(24-25-26)11-7-3-1-4-8-11/h1-10,15H
InChIKeyDRZGOYYHCXIHCZ-UHFFFAOYSA-N
XLogP5.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.28
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-Difluorophenyl)-5-methyl-4-phenyltriazole
CID 342451
1H-1,2,3-Triazole, 1-benzyl-4,5-diphenyl-
CID 283388
1-Benzyl-4-[4-(trifluoromethyl)phenyl]triazole
CID 46862898
1-(4-Fluorophenyl)-5-methyl-4-phenyltriazole
CID 118737664
1-Benzyl-4-phenyl-5-[4-(trifluoromethyl)phenyl]triazole
CID 139239897
1-Benzyl-5-(4-fluorophenyl)-4-phenyltriazole
CID 139239898
1-[3-(Trifluoromethyl)benzyl]-4-phenyl-5-iodo-1H-1,2,3-triazole
CID 53465727
4-Phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,3-triazole
CID 66958059
1-Benzyl-4-(2,4-difluorophenyl)triazole
CID 86272010
4,5-Diphenyl-1-propan-2-yltriazole
CID 1216333
1,4,5-Triphenyl-1H-1,2,3-triazole
CID 277973
5-Methyl-1,4-diphenyltriazole
CID 12663248

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,3,3,3-hexafluoropropyl)-4,5-diphenyltriazole?
The IUPAC name of 1-(1,1,2,3,3,3-hexafluoropropyl)-4,5-diphenyltriazole (CID 606021) is 1-(1,1,2,3,3,3-hexafluoropropyl)-4,5-diphenyltriazole.
What is the SMILES notation for 1-(1,1,2,3,3,3-hexafluoropropyl)-4,5-diphenyltriazole?
The canonical SMILES for 1-(1,1,2,3,3,3-hexafluoropropyl)-4,5-diphenyltriazole is FC(C(F)(F)F)C(F)(F)n1nnc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-(1,1,2,3,3,3-hexafluoropropyl)-4,5-diphenyltriazole?
The InChIKey is DRZGOYYHCXIHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F6N3/c18-15(16(19,20)21)17(22,23)26-14(12-9-5-2-6-10-12)13(24-25-26)11-7-3-1-4-8-11/h1-10,15H.
What are the key properties of 1-(1,1,2,3,3,3-hexafluoropropyl)-4,5-diphenyltriazole?
1-(1,1,2,3,3,3-hexafluoropropyl)-4,5-diphenyltriazole has a molecular weight of 371.28 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,3,3,3-hexafluoropropyl)-4,5-diphenyltriazole is sourced from PubChem (CID 606021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).