4-fluoro-2-(1,2,4-triazol-4-yl)phenol

C8H6FN3O — CID 84656751

IUPAC4-fluoro-2-(1,2,4-triazol-4-yl)phenol
SMILESOc1ccc(F)cc1-n1cnnc1
InChIInChI=1S/C8H6FN3O/c9-6-1-2-8(13)7(3-6)12-4-10-11-5-12/h1-5,13H
InChIKeyKZKHODYKDRUGJK-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.11
Rot. Bonds1

About 4-fluoro-2-(1,2,4-triazol-4-yl)phenol

4-fluoro-2-(1,2,4-triazol-4-yl)phenol (PubChem CID 84656751) has the molecular formula C8H6FN3O and a molecular weight of 179.15 g/mol. Its IUPAC name is 4-fluoro-2-(1,2,4-triazol-4-yl)phenol.

Molecular Properties

Compound Name4-fluoro-2-(1,2,4-triazol-4-yl)phenol
PubChem CID84656751
Molecular FormulaC8H6FN3O
Molecular Weight179.15 g/mol
Exact Mass179.05
IUPAC Name4-fluoro-2-(1,2,4-triazol-4-yl)phenol
SMILESOc1ccc(F)cc1-n1cnnc1
InChIInChI=1S/C8H6FN3O/c9-6-1-2-8(13)7(3-6)12-4-10-11-5-12/h1-5,13H
InChIKeyKZKHODYKDRUGJK-UHFFFAOYSA-N
XLogP1.11
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,2,4-Triazol-1-yl)phenol
CID 110064
3-(4H-1,2,4-triazol-4-yl)phenol
CID 17174911
4-(4H-1,2,4-Triazol-4-yl)phenol
CID 25239502
2-(1H-1,2,3,4-tetrazol-1-yl)phenol
CID 15496731
2-(1H-1,2,4-triazol-1-yl)phenol
CID 23055339
3-(1H-1,2,4-triazol-1-yl)phenol
CID 54592961
2-fluoro-4-(1H-1,2,3,4-tetrazol-1-yl)phenol
CID 58114323
2-(4H-1,2,4-Triazol-4-yl)phenol
CID 26343030
2-amino-4-(4H-1,2,4-triazol-4-yl)phenol
CID 37859314
4-(3-amino-1H-1,2,4-triazol-1-yl)phenol
CID 75453064
3-fluoro-4-(1H-1,2,3,4-tetrazol-1-yl)phenol
CID 58128550
2-[[5-(4-fluoro-N-methylanilino)-4-methyl-1,2,4-triazol-3-yl]-methylamino]phenol
CID 58324666

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(1,2,4-triazol-4-yl)phenol?
The IUPAC name of 4-fluoro-2-(1,2,4-triazol-4-yl)phenol (CID 84656751) is 4-fluoro-2-(1,2,4-triazol-4-yl)phenol.
What is the SMILES notation for 4-fluoro-2-(1,2,4-triazol-4-yl)phenol?
The canonical SMILES for 4-fluoro-2-(1,2,4-triazol-4-yl)phenol is Oc1ccc(F)cc1-n1cnnc1.
What is the InChIKey of 4-fluoro-2-(1,2,4-triazol-4-yl)phenol?
The InChIKey is KZKHODYKDRUGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O/c9-6-1-2-8(13)7(3-6)12-4-10-11-5-12/h1-5,13H.
What are the key properties of 4-fluoro-2-(1,2,4-triazol-4-yl)phenol?
4-fluoro-2-(1,2,4-triazol-4-yl)phenol has a molecular weight of 179.15 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(1,2,4-triazol-4-yl)phenol is sourced from PubChem (CID 84656751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).