2-[(2-chlorophenyl)methyl]-5-(2-fluorophenyl)tetrazole

C14H10ClFN4 — CID 580823

IUPAC2-[(2-chlorophenyl)methyl]-5-(2-fluorophenyl)tetrazole
SMILESFc1ccccc1-c1nnn(Cc2ccccc2Cl)n1
InChIInChI=1S/C14H10ClFN4/c15-12-7-3-1-5-10(12)9-20-18-14(17-19-20)11-6-2-4-8-13(11)16/h1-8H,9H2
InChIKeyQTTXUWWGMNMPMN-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.18
Rot. Bonds3

About 2-[(2-chlorophenyl)methyl]-5-(2-fluorophenyl)tetrazole

2-[(2-chlorophenyl)methyl]-5-(2-fluorophenyl)tetrazole (PubChem CID 580823) has the molecular formula C14H10ClFN4 and a molecular weight of 288.71 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-5-(2-fluorophenyl)tetrazole.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-5-(2-fluorophenyl)tetrazole
PubChem CID580823
Molecular FormulaC14H10ClFN4
Molecular Weight288.71 g/mol
Exact Mass288.06
IUPAC Name2-[(2-chlorophenyl)methyl]-5-(2-fluorophenyl)tetrazole
SMILESFc1ccccc1-c1nnn(Cc2ccccc2Cl)n1
InChIInChI=1S/C14H10ClFN4/c15-12-7-3-1-5-10(12)9-20-18-14(17-19-20)11-6-2-4-8-13(11)16/h1-8H,9H2
InChIKeyQTTXUWWGMNMPMN-UHFFFAOYSA-N
XLogP3.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-5-(2-fluorophenyl)tetrazole?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-5-(2-fluorophenyl)tetrazole (CID 580823) is 2-[(2-chlorophenyl)methyl]-5-(2-fluorophenyl)tetrazole.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-5-(2-fluorophenyl)tetrazole?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-5-(2-fluorophenyl)tetrazole is Fc1ccccc1-c1nnn(Cc2ccccc2Cl)n1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-5-(2-fluorophenyl)tetrazole?
The InChIKey is QTTXUWWGMNMPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4/c15-12-7-3-1-5-10(12)9-20-18-14(17-19-20)11-6-2-4-8-13(11)16/h1-8H,9H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-5-(2-fluorophenyl)tetrazole?
2-[(2-chlorophenyl)methyl]-5-(2-fluorophenyl)tetrazole has a molecular weight of 288.71 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-5-(2-fluorophenyl)tetrazole is sourced from PubChem (CID 580823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).