1-fluoro-4-phenyltriazole

C8H6FN3 — CID 162765474

IUPAC1-fluoro-4-phenyltriazole
SMILESFn1cc(-c2ccccc2)nn1
InChIInChI=1S/C8H6FN3/c9-12-6-8(10-11-12)7-4-2-1-3-5-7/h1-6H
InChIKeySEBJSSQZHNOCQU-UHFFFAOYSA-N
MW163.16 g/mol
LogP1.68
Rot. Bonds1

About 1-fluoro-4-phenyltriazole

1-fluoro-4-phenyltriazole (PubChem CID 162765474) has the molecular formula C8H6FN3 and a molecular weight of 163.16 g/mol. Its IUPAC name is 1-fluoro-4-phenyltriazole.

Molecular Properties

Compound Name1-fluoro-4-phenyltriazole
PubChem CID162765474
Molecular FormulaC8H6FN3
Molecular Weight163.16 g/mol
Exact Mass163.05
IUPAC Name1-fluoro-4-phenyltriazole
SMILESFn1cc(-c2ccccc2)nn1
InChIInChI=1S/C8H6FN3/c9-12-6-8(10-11-12)7-4-2-1-3-5-7/h1-6H
InChIKeySEBJSSQZHNOCQU-UHFFFAOYSA-N
XLogP1.68
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.16
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-phenyltriazole
CID 11309663
trifluoro-[(4-phenyltriazol-1-yl)methyl]boranuide
CID 102386878
1-phenyl-4-(4-phenylphenyl)triazole
CID 140714352
1-[2,2,3,3,4,4,5,5-octafluoro-6-(4-phenyltriazol-1-yl)hexyl]-4-phenyltriazole
CID 118906956
pentafluoro-[4-(4-phenyltriazol-1-yl)phenyl]-λ6-sulfane
CID 102367699
[4-(4-phenyltriazol-1-yl)phenyl]borane
CID 143877764
1-(4-fluorophenyl)sulfonyl-4-phenyltriazole
CID 51350838
1-[1-(4-fluorophenyl)ethyl]-4-phenyltriazole
CID 23649624
1-(2-methoxyethyl)-4-phenyltriazole
CID 50852603
1-naphthalen-1-yl-4-phenyltriazole
CID 78136552
3-(4-phenyltriazol-1-yl)propan-1-amine;hydrochloride
CID 86262386
1-(1-ethynylcyclooctyl)-4-phenyltriazole
CID 130403978

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-phenyltriazole?
The IUPAC name of 1-fluoro-4-phenyltriazole (CID 162765474) is 1-fluoro-4-phenyltriazole.
What is the SMILES notation for 1-fluoro-4-phenyltriazole?
The canonical SMILES for 1-fluoro-4-phenyltriazole is Fn1cc(-c2ccccc2)nn1.
What is the InChIKey of 1-fluoro-4-phenyltriazole?
The InChIKey is SEBJSSQZHNOCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3/c9-12-6-8(10-11-12)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 1-fluoro-4-phenyltriazole?
1-fluoro-4-phenyltriazole has a molecular weight of 163.16 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-phenyltriazole is sourced from PubChem (CID 162765474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).