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

C8H6FN3O — CID 64781869

IUPAC2-fluoro-4-(1,2,4-triazol-4-yl)phenol
SMILESOc1ccc(-n2cnnc2)cc1F
InChIInChI=1S/C8H6FN3O/c9-7-3-6(1-2-8(7)13)12-4-10-11-5-12/h1-5,13H
InChIKeyPRUOESRWMKIWPW-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.11
Rot. Bonds1

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

2-fluoro-4-(1,2,4-triazol-4-yl)phenol (PubChem CID 64781869) has the molecular formula C8H6FN3O and a molecular weight of 179.15 g/mol. Its IUPAC name is 2-fluoro-4-(1,2,4-triazol-4-yl)phenol.

Molecular Properties

Compound Name2-fluoro-4-(1,2,4-triazol-4-yl)phenol
PubChem CID64781869
Molecular FormulaC8H6FN3O
Molecular Weight179.15 g/mol
Exact Mass179.05
IUPAC Name2-fluoro-4-(1,2,4-triazol-4-yl)phenol
SMILESOc1ccc(-n2cnnc2)cc1F
InChIInChI=1S/C8H6FN3O/c9-7-3-6(1-2-8(7)13)12-4-10-11-5-12/h1-5,13H
InChIKeyPRUOESRWMKIWPW-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
4-(1H-1,2,3,4-tetrazol-1-yl)phenol
CID 542910
4-(4-methoxyphenyl)-4H-1,2,4-triazole
CID 659620
3-(4H-1,2,4-triazol-4-yl)phenol
CID 17174911
4-(4H-1,2,4-Triazol-4-yl)phenol
CID 25239502
2-(1H-1,2,4-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
2-methyl-4-(4H-1,2,4-triazol-4-yl)phenol
CID 81565787

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1,2,4-triazol-4-yl)phenol?
The IUPAC name of 2-fluoro-4-(1,2,4-triazol-4-yl)phenol (CID 64781869) is 2-fluoro-4-(1,2,4-triazol-4-yl)phenol.
What is the SMILES notation for 2-fluoro-4-(1,2,4-triazol-4-yl)phenol?
The canonical SMILES for 2-fluoro-4-(1,2,4-triazol-4-yl)phenol is Oc1ccc(-n2cnnc2)cc1F.
What is the InChIKey of 2-fluoro-4-(1,2,4-triazol-4-yl)phenol?
The InChIKey is PRUOESRWMKIWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O/c9-7-3-6(1-2-8(7)13)12-4-10-11-5-12/h1-5,13H.
What are the key properties of 2-fluoro-4-(1,2,4-triazol-4-yl)phenol?
2-fluoro-4-(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 2-fluoro-4-(1,2,4-triazol-4-yl)phenol is sourced from PubChem (CID 64781869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).