4-[(2-chloro-6-fluorophenyl)methyl]-2H-triazole

C9H7ClFN3 — CID 71108958

IUPAC4-[(2-chloro-6-fluorophenyl)methyl]-2H-triazole
SMILESFc1cccc(Cl)c1Cc1cn[nH]n1
InChIInChI=1S/C9H7ClFN3/c10-8-2-1-3-9(11)7(8)4-6-5-12-14-13-6/h1-3,5H,4H2,(H,12,13,14)
InChIKeyWLWPCDHVCKLPIJ-UHFFFAOYSA-N
MW211.63 g/mol
LogP2.19
Rot. Bonds2

About 4-[(2-chloro-6-fluorophenyl)methyl]-2H-triazole

4-[(2-chloro-6-fluorophenyl)methyl]-2H-triazole (PubChem CID 71108958) has the molecular formula C9H7ClFN3 and a molecular weight of 211.63 g/mol. Its IUPAC name is 4-[(2-chloro-6-fluorophenyl)methyl]-2H-triazole.

Molecular Properties

Compound Name4-[(2-chloro-6-fluorophenyl)methyl]-2H-triazole
PubChem CID71108958
Molecular FormulaC9H7ClFN3
Molecular Weight211.63 g/mol
Exact Mass211.03
IUPAC Name4-[(2-chloro-6-fluorophenyl)methyl]-2H-triazole
SMILESFc1cccc(Cl)c1Cc1cn[nH]n1
InChIInChI=1S/C9H7ClFN3/c10-8-2-1-3-9(11)7(8)4-6-5-12-14-13-6/h1-3,5H,4H2,(H,12,13,14)
InChIKeyWLWPCDHVCKLPIJ-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.63
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-fluorophenyl)methyl]-2H-triazole?
The IUPAC name of 4-[(2-chloro-6-fluorophenyl)methyl]-2H-triazole (CID 71108958) is 4-[(2-chloro-6-fluorophenyl)methyl]-2H-triazole.
What is the SMILES notation for 4-[(2-chloro-6-fluorophenyl)methyl]-2H-triazole?
The canonical SMILES for 4-[(2-chloro-6-fluorophenyl)methyl]-2H-triazole is Fc1cccc(Cl)c1Cc1cn[nH]n1.
What is the InChIKey of 4-[(2-chloro-6-fluorophenyl)methyl]-2H-triazole?
The InChIKey is WLWPCDHVCKLPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3/c10-8-2-1-3-9(11)7(8)4-6-5-12-14-13-6/h1-3,5H,4H2,(H,12,13,14).
What are the key properties of 4-[(2-chloro-6-fluorophenyl)methyl]-2H-triazole?
4-[(2-chloro-6-fluorophenyl)methyl]-2H-triazole has a molecular weight of 211.63 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-fluorophenyl)methyl]-2H-triazole is sourced from PubChem (CID 71108958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).