5-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]phenyl]triazole

C21H14F3N3O — CID 86345999

IUPAC5-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]phenyl]triazole
SMILESFC(F)(F)c1ccccc1Oc1ccccc1-n1nncc1-c1ccccc1
InChIInChI=1S/C21H14F3N3O/c22-21(23,24)16-10-4-6-12-19(16)28-20-13-7-5-11-17(20)27-18(14-25-26-27)15-8-2-1-3-9-15/h1-14H
InChIKeyUUTGHFZJNHJNCL-UHFFFAOYSA-N
MW381.36 g/mol
LogP5.75
Rot. Bonds4

About 5-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]phenyl]triazole

5-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]phenyl]triazole (PubChem CID 86345999) has the molecular formula C21H14F3N3O and a molecular weight of 381.36 g/mol. Its IUPAC name is 5-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]phenyl]triazole.

Molecular Properties

Compound Name5-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]phenyl]triazole
PubChem CID86345999
Molecular FormulaC21H14F3N3O
Molecular Weight381.36 g/mol
Exact Mass381.11
IUPAC Name5-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]phenyl]triazole
SMILESFC(F)(F)c1ccccc1Oc1ccccc1-n1nncc1-c1ccccc1
InChIInChI=1S/C21H14F3N3O/c22-21(23,24)16-10-4-6-12-19(16)28-20-13-7-5-11-17(20)27-18(14-25-26-27)15-8-2-1-3-9-15/h1-14H
InChIKeyUUTGHFZJNHJNCL-UHFFFAOYSA-N
XLogP5.75
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.36
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline
CID 16736237
4-[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline
CID 16736456
4-(4-Methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]triazole
CID 11638573
1-(2-Methoxyphenyl)-4-[4-(4-phenyltriazol-1-yl)butyl]piperazine
CID 72190766
4-[1-[4-(Trifluoromethoxy)phenyl]triazol-4-yl]aniline
CID 11565966
1-(2-Methoxyphenyl)-4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]triazole
CID 129908441
1-(2'-Ethoxy-4'-fluoro-[1,1'-biphenyl]-4-yl)-4-phenyl-1H-1,2,3-triazole
CID 139049238
4-(4-Methoxyphenyl)-1-(4-phenoxyphenyl)triazole
CID 11493912
1-(2-Fluoro-6-methoxy-phenyl)-4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]triazole
CID 129907815
4-[4-[3,5-Bis(trifluoromethyl)pyrazol-1-yl]phenyl]-1-(4-phenoxyphenyl)triazole
CID 132211937
1-[4-(5-Fluoro-2-methoxyphenyl)phenyl]-4-phenyltriazole
CID 145960542
[4-[1-[2-(Trifluoromethoxy)phenyl]triazol-4-yl]phenyl] sulfamate
CID 156521509

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]phenyl]triazole?
The IUPAC name of 5-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]phenyl]triazole (CID 86345999) is 5-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]phenyl]triazole.
What is the SMILES notation for 5-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]phenyl]triazole?
The canonical SMILES for 5-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]phenyl]triazole is FC(F)(F)c1ccccc1Oc1ccccc1-n1nncc1-c1ccccc1.
What is the InChIKey of 5-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]phenyl]triazole?
The InChIKey is UUTGHFZJNHJNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O/c22-21(23,24)16-10-4-6-12-19(16)28-20-13-7-5-11-17(20)27-18(14-25-26-27)15-8-2-1-3-9-15/h1-14H.
What are the key properties of 5-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]phenyl]triazole?
5-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]phenyl]triazole has a molecular weight of 381.36 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]phenyl]triazole is sourced from PubChem (CID 86345999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).