5-[(2-chloro-6-fluorophenyl)methyl]-2H-tetrazole

C8H6ClFN4 — CID 22431849

IUPAC5-[(2-chloro-6-fluorophenyl)methyl]-2H-tetrazole
SMILESFc1cccc(Cl)c1Cc1nn[nH]n1
InChIInChI=1S/C8H6ClFN4/c9-6-2-1-3-7(10)5(6)4-8-11-13-14-12-8/h1-3H,4H2,(H,11,12,13,14)
InChIKeyKSDYLDZZRANLBM-UHFFFAOYSA-N
MW212.62 g/mol
LogP1.58
Rot. Bonds2

About 5-[(2-chloro-6-fluorophenyl)methyl]-2H-tetrazole

5-[(2-chloro-6-fluorophenyl)methyl]-2H-tetrazole (PubChem CID 22431849) has the molecular formula C8H6ClFN4 and a molecular weight of 212.62 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methyl]-2H-tetrazole
PubChem CID22431849
Molecular FormulaC8H6ClFN4
Molecular Weight212.62 g/mol
Exact Mass212.03
IUPAC Name5-[(2-chloro-6-fluorophenyl)methyl]-2H-tetrazole
SMILESFc1cccc(Cl)c1Cc1nn[nH]n1
InChIInChI=1S/C8H6ClFN4/c9-6-2-1-3-7(10)5(6)4-8-11-13-14-12-8/h1-3H,4H2,(H,11,12,13,14)
InChIKeyKSDYLDZZRANLBM-UHFFFAOYSA-N
XLogP1.58
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.62
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-2H-tetrazole?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-2H-tetrazole (CID 22431849) is 5-[(2-chloro-6-fluorophenyl)methyl]-2H-tetrazole.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methyl]-2H-tetrazole?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methyl]-2H-tetrazole is Fc1cccc(Cl)c1Cc1nn[nH]n1.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methyl]-2H-tetrazole?
The InChIKey is KSDYLDZZRANLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN4/c9-6-2-1-3-7(10)5(6)4-8-11-13-14-12-8/h1-3H,4H2,(H,11,12,13,14).
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methyl]-2H-tetrazole?
5-[(2-chloro-6-fluorophenyl)methyl]-2H-tetrazole has a molecular weight of 212.62 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)methyl]-2H-tetrazole is sourced from PubChem (CID 22431849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).