1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole

C9H7FIN3 — CID 79784814

IUPAC1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole
SMILESFc1cccc(Cn2cnc(I)n2)c1
InChIInChI=1S/C9H7FIN3/c10-8-3-1-2-7(4-8)5-14-6-12-9(11)13-14/h1-4,6H,5H2
InChIKeyYFJWHCSDEFTRBG-UHFFFAOYSA-N
MW303.08 g/mol
LogP2.07
Rot. Bonds2

About 1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole

1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole (PubChem CID 79784814) has the molecular formula C9H7FIN3 and a molecular weight of 303.08 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole
PubChem CID79784814
Molecular FormulaC9H7FIN3
Molecular Weight303.08 g/mol
Exact Mass302.97
IUPAC Name1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole
SMILESFc1cccc(Cn2cnc(I)n2)c1
InChIInChI=1S/C9H7FIN3/c10-8-3-1-2-7(4-8)5-14-6-12-9(11)13-14/h1-4,6H,5H2
InChIKeyYFJWHCSDEFTRBG-UHFFFAOYSA-N
XLogP2.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.08
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole (CID 79784814) is 1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole is Fc1cccc(Cn2cnc(I)n2)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole?
The InChIKey is YFJWHCSDEFTRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FIN3/c10-8-3-1-2-7(4-8)5-14-6-12-9(11)13-14/h1-4,6H,5H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole?
1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole has a molecular weight of 303.08 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole is sourced from PubChem (CID 79784814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).