1-(3-fluoro-4-propan-2-ylphenyl)-1,2,4-triazole

C11H12FN3 — CID 58414576

IUPAC1-(3-fluoro-4-propan-2-ylphenyl)-1,2,4-triazole
SMILESCC(C)c1ccc(-n2cncn2)cc1F
InChIInChI=1S/C11H12FN3/c1-8(2)10-4-3-9(5-11(10)12)15-7-13-6-14-15/h3-8H,1-2H3
InChIKeyVBIFGUQJWPBNKW-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.53
Rot. Bonds2

About 1-(3-fluoro-4-propan-2-ylphenyl)-1,2,4-triazole

1-(3-fluoro-4-propan-2-ylphenyl)-1,2,4-triazole (PubChem CID 58414576) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 1-(3-fluoro-4-propan-2-ylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(3-fluoro-4-propan-2-ylphenyl)-1,2,4-triazole
PubChem CID58414576
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name1-(3-fluoro-4-propan-2-ylphenyl)-1,2,4-triazole
SMILESCC(C)c1ccc(-n2cncn2)cc1F
InChIInChI=1S/C11H12FN3/c1-8(2)10-4-3-9(5-11(10)12)15-7-13-6-14-15/h3-8H,1-2H3
InChIKeyVBIFGUQJWPBNKW-UHFFFAOYSA-N
XLogP2.53
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-propan-2-ylphenyl)-1,2,4-triazole?
The IUPAC name of 1-(3-fluoro-4-propan-2-ylphenyl)-1,2,4-triazole (CID 58414576) is 1-(3-fluoro-4-propan-2-ylphenyl)-1,2,4-triazole.
What is the SMILES notation for 1-(3-fluoro-4-propan-2-ylphenyl)-1,2,4-triazole?
The canonical SMILES for 1-(3-fluoro-4-propan-2-ylphenyl)-1,2,4-triazole is CC(C)c1ccc(-n2cncn2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-propan-2-ylphenyl)-1,2,4-triazole?
The InChIKey is VBIFGUQJWPBNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-8(2)10-4-3-9(5-11(10)12)15-7-13-6-14-15/h3-8H,1-2H3.
What are the key properties of 1-(3-fluoro-4-propan-2-ylphenyl)-1,2,4-triazole?
1-(3-fluoro-4-propan-2-ylphenyl)-1,2,4-triazole has a molecular weight of 205.24 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-propan-2-ylphenyl)-1,2,4-triazole is sourced from PubChem (CID 58414576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).