4-chloro-2-[5-[3-(trifluoromethyl)phenyl]triazol-1-yl]phenol

C15H9ClF3N3O — CID 70903713

IUPAC4-chloro-2-[5-[3-(trifluoromethyl)phenyl]triazol-1-yl]phenol
SMILESOc1ccc(Cl)cc1-n1nncc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H9ClF3N3O/c16-11-4-5-14(23)12(7-11)22-13(8-20-21-22)9-2-1-3-10(6-9)15(17,18)19/h1-8,23H
InChIKeyUNGPZKTVWBXZQR-UHFFFAOYSA-N
MW339.70 g/mol
LogP4.31
Rot. Bonds2

About 4-chloro-2-[5-[3-(trifluoromethyl)phenyl]triazol-1-yl]phenol

4-chloro-2-[5-[3-(trifluoromethyl)phenyl]triazol-1-yl]phenol (PubChem CID 70903713) has the molecular formula C15H9ClF3N3O and a molecular weight of 339.70 g/mol. Its IUPAC name is 4-chloro-2-[5-[3-(trifluoromethyl)phenyl]triazol-1-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[5-[3-(trifluoromethyl)phenyl]triazol-1-yl]phenol
PubChem CID70903713
Molecular FormulaC15H9ClF3N3O
Molecular Weight339.70 g/mol
Exact Mass339.04
IUPAC Name4-chloro-2-[5-[3-(trifluoromethyl)phenyl]triazol-1-yl]phenol
SMILESOc1ccc(Cl)cc1-n1nncc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H9ClF3N3O/c16-11-4-5-14(23)12(7-11)22-13(8-20-21-22)9-2-1-3-10(6-9)15(17,18)19/h1-8,23H
InChIKeyUNGPZKTVWBXZQR-UHFFFAOYSA-N
XLogP4.31
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.70
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[5-[3-(trifluoromethyl)phenyl]triazol-1-yl]phenol?
The IUPAC name of 4-chloro-2-[5-[3-(trifluoromethyl)phenyl]triazol-1-yl]phenol (CID 70903713) is 4-chloro-2-[5-[3-(trifluoromethyl)phenyl]triazol-1-yl]phenol.
What is the SMILES notation for 4-chloro-2-[5-[3-(trifluoromethyl)phenyl]triazol-1-yl]phenol?
The canonical SMILES for 4-chloro-2-[5-[3-(trifluoromethyl)phenyl]triazol-1-yl]phenol is Oc1ccc(Cl)cc1-n1nncc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-2-[5-[3-(trifluoromethyl)phenyl]triazol-1-yl]phenol?
The InChIKey is UNGPZKTVWBXZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3O/c16-11-4-5-14(23)12(7-11)22-13(8-20-21-22)9-2-1-3-10(6-9)15(17,18)19/h1-8,23H.
What are the key properties of 4-chloro-2-[5-[3-(trifluoromethyl)phenyl]triazol-1-yl]phenol?
4-chloro-2-[5-[3-(trifluoromethyl)phenyl]triazol-1-yl]phenol has a molecular weight of 339.70 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[5-[3-(trifluoromethyl)phenyl]triazol-1-yl]phenol is sourced from PubChem (CID 70903713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).