5-[(2,4-dichlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole

C14H9Cl2FN4 — CID 19798548

IUPAC5-[(2,4-dichlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole
SMILESFc1ccc(-n2nnnc2Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H9Cl2FN4/c15-10-2-1-9(13(16)8-10)7-14-18-19-20-21(14)12-5-3-11(17)4-6-12/h1-6,8H,7H2
InChIKeyUORRZRFQKQQHMF-UHFFFAOYSA-N
MW323.16 g/mol
LogP3.70
Rot. Bonds3

About 5-[(2,4-dichlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole

5-[(2,4-dichlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole (PubChem CID 19798548) has the molecular formula C14H9Cl2FN4 and a molecular weight of 323.16 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole.

Molecular Properties

Compound Name5-[(2,4-dichlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole
PubChem CID19798548
Molecular FormulaC14H9Cl2FN4
Molecular Weight323.16 g/mol
Exact Mass322.02
IUPAC Name5-[(2,4-dichlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole
SMILESFc1ccc(-n2nnnc2Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H9Cl2FN4/c15-10-2-1-9(13(16)8-10)7-14-18-19-20-21(14)12-5-3-11(17)4-6-12/h1-6,8H,7H2
InChIKeyUORRZRFQKQQHMF-UHFFFAOYSA-N
XLogP3.70
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole?
The IUPAC name of 5-[(2,4-dichlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole (CID 19798548) is 5-[(2,4-dichlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole.
What is the SMILES notation for 5-[(2,4-dichlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole?
The canonical SMILES for 5-[(2,4-dichlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole is Fc1ccc(-n2nnnc2Cc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 5-[(2,4-dichlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole?
The InChIKey is UORRZRFQKQQHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN4/c15-10-2-1-9(13(16)8-10)7-14-18-19-20-21(14)12-5-3-11(17)4-6-12/h1-6,8H,7H2.
What are the key properties of 5-[(2,4-dichlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole?
5-[(2,4-dichlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole has a molecular weight of 323.16 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole is sourced from PubChem (CID 19798548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).