3-bromo-5-(2-chlorophenoxy)-1-(2-fluoroethyl)-1,2,4-triazole

C10H8BrClFN3O — CID 134498197

IUPAC3-bromo-5-(2-chlorophenoxy)-1-(2-fluoroethyl)-1,2,4-triazole
SMILESFCCn1nc(Br)nc1Oc1ccccc1Cl
InChIInChI=1S/C10H8BrClFN3O/c11-9-14-10(16(15-9)6-5-13)17-8-4-2-1-3-7(8)12/h1-4H,5-6H2
InChIKeyFSZIAGBAGMTLOB-UHFFFAOYSA-N
MW320.55 g/mol
LogP3.46
Rot. Bonds4

About 3-bromo-5-(2-chlorophenoxy)-1-(2-fluoroethyl)-1,2,4-triazole

3-bromo-5-(2-chlorophenoxy)-1-(2-fluoroethyl)-1,2,4-triazole (PubChem CID 134498197) has the molecular formula C10H8BrClFN3O and a molecular weight of 320.55 g/mol. Its IUPAC name is 3-bromo-5-(2-chlorophenoxy)-1-(2-fluoroethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-bromo-5-(2-chlorophenoxy)-1-(2-fluoroethyl)-1,2,4-triazole
PubChem CID134498197
Molecular FormulaC10H8BrClFN3O
Molecular Weight320.55 g/mol
Exact Mass318.95
IUPAC Name3-bromo-5-(2-chlorophenoxy)-1-(2-fluoroethyl)-1,2,4-triazole
SMILESFCCn1nc(Br)nc1Oc1ccccc1Cl
InChIInChI=1S/C10H8BrClFN3O/c11-9-14-10(16(15-9)6-5-13)17-8-4-2-1-3-7(8)12/h1-4H,5-6H2
InChIKeyFSZIAGBAGMTLOB-UHFFFAOYSA-N
XLogP3.46
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.55
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-chlorophenoxy)-1-(2-fluoroethyl)-1,2,4-triazole?
The IUPAC name of 3-bromo-5-(2-chlorophenoxy)-1-(2-fluoroethyl)-1,2,4-triazole (CID 134498197) is 3-bromo-5-(2-chlorophenoxy)-1-(2-fluoroethyl)-1,2,4-triazole.
What is the SMILES notation for 3-bromo-5-(2-chlorophenoxy)-1-(2-fluoroethyl)-1,2,4-triazole?
The canonical SMILES for 3-bromo-5-(2-chlorophenoxy)-1-(2-fluoroethyl)-1,2,4-triazole is FCCn1nc(Br)nc1Oc1ccccc1Cl.
What is the InChIKey of 3-bromo-5-(2-chlorophenoxy)-1-(2-fluoroethyl)-1,2,4-triazole?
The InChIKey is FSZIAGBAGMTLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClFN3O/c11-9-14-10(16(15-9)6-5-13)17-8-4-2-1-3-7(8)12/h1-4H,5-6H2.
What are the key properties of 3-bromo-5-(2-chlorophenoxy)-1-(2-fluoroethyl)-1,2,4-triazole?
3-bromo-5-(2-chlorophenoxy)-1-(2-fluoroethyl)-1,2,4-triazole has a molecular weight of 320.55 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-chlorophenoxy)-1-(2-fluoroethyl)-1,2,4-triazole is sourced from PubChem (CID 134498197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).