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

C15H10F3N3O — CID 170905364

IUPAC2-[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]phenol
SMILESOc1ccccc1-n1cc(-c2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)11-6-2-1-5-10(11)12-9-21(20-19-12)13-7-3-4-8-14(13)22/h1-9,22H
InChIKeyDJGLKYUZGYHCBU-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.66
Rot. Bonds2

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

2-[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]phenol (PubChem CID 170905364) has the molecular formula C15H10F3N3O and a molecular weight of 305.26 g/mol. Its IUPAC name is 2-[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]phenol.

Molecular Properties

Compound Name2-[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]phenol
PubChem CID170905364
Molecular FormulaC15H10F3N3O
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC Name2-[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]phenol
SMILESOc1ccccc1-n1cc(-c2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)11-6-2-1-5-10(11)12-9-21(20-19-12)13-7-3-4-8-14(13)22/h1-9,22H
InChIKeyDJGLKYUZGYHCBU-UHFFFAOYSA-N
XLogP3.66
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]phenol?
The IUPAC name of 2-[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]phenol (CID 170905364) is 2-[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]phenol.
What is the SMILES notation for 2-[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]phenol?
The canonical SMILES for 2-[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]phenol is Oc1ccccc1-n1cc(-c2ccccc2C(F)(F)F)nn1.
What is the InChIKey of 2-[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]phenol?
The InChIKey is DJGLKYUZGYHCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O/c16-15(17,18)11-6-2-1-5-10(11)12-9-21(20-19-12)13-7-3-4-8-14(13)22/h1-9,22H.
What are the key properties of 2-[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]phenol?
2-[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]phenol has a molecular weight of 305.26 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]phenol is sourced from PubChem (CID 170905364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).