2-[4-(2,4-difluorophenyl)triazol-1-yl]phenol

C14H9F2N3O — CID 122501213

IUPAC2-[4-(2,4-difluorophenyl)triazol-1-yl]phenol
SMILESOc1ccccc1-n1cc(-c2ccc(F)cc2F)nn1
InChIInChI=1S/C14H9F2N3O/c15-9-5-6-10(11(16)7-9)12-8-19(18-17-12)13-3-1-2-4-14(13)20/h1-8,20H
InChIKeyVLXGATJTSXLIKM-UHFFFAOYSA-N
MW273.24 g/mol
LogP2.92
Rot. Bonds2

About 2-[4-(2,4-difluorophenyl)triazol-1-yl]phenol

2-[4-(2,4-difluorophenyl)triazol-1-yl]phenol (PubChem CID 122501213) has the molecular formula C14H9F2N3O and a molecular weight of 273.24 g/mol. Its IUPAC name is 2-[4-(2,4-difluorophenyl)triazol-1-yl]phenol.

Molecular Properties

Compound Name2-[4-(2,4-difluorophenyl)triazol-1-yl]phenol
PubChem CID122501213
Molecular FormulaC14H9F2N3O
Molecular Weight273.24 g/mol
Exact Mass273.07
IUPAC Name2-[4-(2,4-difluorophenyl)triazol-1-yl]phenol
SMILESOc1ccccc1-n1cc(-c2ccc(F)cc2F)nn1
InChIInChI=1S/C14H9F2N3O/c15-9-5-6-10(11(16)7-9)12-8-19(18-17-12)13-3-1-2-4-14(13)20/h1-8,20H
InChIKeyVLXGATJTSXLIKM-UHFFFAOYSA-N
XLogP2.92
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluorophenyl)triazol-1-yl]phenol?
The IUPAC name of 2-[4-(2,4-difluorophenyl)triazol-1-yl]phenol (CID 122501213) is 2-[4-(2,4-difluorophenyl)triazol-1-yl]phenol.
What is the SMILES notation for 2-[4-(2,4-difluorophenyl)triazol-1-yl]phenol?
The canonical SMILES for 2-[4-(2,4-difluorophenyl)triazol-1-yl]phenol is Oc1ccccc1-n1cc(-c2ccc(F)cc2F)nn1.
What is the InChIKey of 2-[4-(2,4-difluorophenyl)triazol-1-yl]phenol?
The InChIKey is VLXGATJTSXLIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O/c15-9-5-6-10(11(16)7-9)12-8-19(18-17-12)13-3-1-2-4-14(13)20/h1-8,20H.
What are the key properties of 2-[4-(2,4-difluorophenyl)triazol-1-yl]phenol?
2-[4-(2,4-difluorophenyl)triazol-1-yl]phenol has a molecular weight of 273.24 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-difluorophenyl)triazol-1-yl]phenol is sourced from PubChem (CID 122501213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).