4-[(E)-2-(2-fluorophenyl)ethenyl]-2H-triazole

C10H8FN3 — CID 155653441

IUPAC4-[(E)-2-(2-fluorophenyl)ethenyl]-2H-triazole
SMILESFc1ccccc1/C=C/c1cn[nH]n1
InChIInChI=1S/C10H8FN3/c11-10-4-2-1-3-8(10)5-6-9-7-12-14-13-9/h1-7H,(H,12,13,14)/b6-5+
InChIKeyVHQSGWCGBZQKIC-AATRIKPKSA-N
MW189.19 g/mol
LogP2.11
Rot. Bonds2

About 4-[(E)-2-(2-fluorophenyl)ethenyl]-2H-triazole

4-[(E)-2-(2-fluorophenyl)ethenyl]-2H-triazole (PubChem CID 155653441) has the molecular formula C10H8FN3 and a molecular weight of 189.19 g/mol. Its IUPAC name is 4-[(E)-2-(2-fluorophenyl)ethenyl]-2H-triazole.

Molecular Properties

Compound Name4-[(E)-2-(2-fluorophenyl)ethenyl]-2H-triazole
PubChem CID155653441
Molecular FormulaC10H8FN3
Molecular Weight189.19 g/mol
Exact Mass189.07
IUPAC Name4-[(E)-2-(2-fluorophenyl)ethenyl]-2H-triazole
SMILESFc1ccccc1/C=C/c1cn[nH]n1
InChIInChI=1S/C10H8FN3/c11-10-4-2-1-3-8(10)5-6-9-7-12-14-13-9/h1-7H,(H,12,13,14)/b6-5+
InChIKeyVHQSGWCGBZQKIC-AATRIKPKSA-N
XLogP2.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2-fluorophenyl)ethenyl]-2H-triazole?
The IUPAC name of 4-[(E)-2-(2-fluorophenyl)ethenyl]-2H-triazole (CID 155653441) is 4-[(E)-2-(2-fluorophenyl)ethenyl]-2H-triazole.
What is the SMILES notation for 4-[(E)-2-(2-fluorophenyl)ethenyl]-2H-triazole?
The canonical SMILES for 4-[(E)-2-(2-fluorophenyl)ethenyl]-2H-triazole is Fc1ccccc1/C=C/c1cn[nH]n1.
What is the InChIKey of 4-[(E)-2-(2-fluorophenyl)ethenyl]-2H-triazole?
The InChIKey is VHQSGWCGBZQKIC-AATRIKPKSA-N. The full InChI is InChI=1S/C10H8FN3/c11-10-4-2-1-3-8(10)5-6-9-7-12-14-13-9/h1-7H,(H,12,13,14)/b6-5+.
What are the key properties of 4-[(E)-2-(2-fluorophenyl)ethenyl]-2H-triazole?
4-[(E)-2-(2-fluorophenyl)ethenyl]-2H-triazole has a molecular weight of 189.19 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2-fluorophenyl)ethenyl]-2H-triazole is sourced from PubChem (CID 155653441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).