2-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)tetrazole

C14H10ClFN4 — CID 685751

IUPAC2-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)tetrazole
SMILESFc1ccc(-c2nnn(Cc3ccccc3Cl)n2)cc1
InChIInChI=1S/C14H10ClFN4/c15-13-4-2-1-3-11(13)9-20-18-14(17-19-20)10-5-7-12(16)8-6-10/h1-8H,9H2
InChIKeyBITFYXYDSVPGFA-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.18
Rot. Bonds3

About 2-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)tetrazole

2-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)tetrazole (PubChem CID 685751) has the molecular formula C14H10ClFN4 and a molecular weight of 288.71 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)tetrazole.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)tetrazole
PubChem CID685751
Molecular FormulaC14H10ClFN4
Molecular Weight288.71 g/mol
Exact Mass288.06
IUPAC Name2-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)tetrazole
SMILESFc1ccc(-c2nnn(Cc3ccccc3Cl)n2)cc1
InChIInChI=1S/C14H10ClFN4/c15-13-4-2-1-3-11(13)9-20-18-14(17-19-20)10-5-7-12(16)8-6-10/h1-8H,9H2
InChIKeyBITFYXYDSVPGFA-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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Related Compounds

Clofentezine
CID 73670
5-(2-chlorophenyl)-2H-1,2,3,4-tetrazole
CID 560735
2-(2-chloro-4-fluorobenzyl)-5-(2-methylphenyl)-2H-tetrazole
CID 723279
5-(4-Chlorophenyl)-2-[(4-fluorophenyl)methyl]tetrazole
CID 2730635
2-(2-chloro-4-fluorobenzyl)-5-(4-fluorophenyl)-2H-tetrazole
CID 588845
2-Benzyl-5-phenyl-2h-tetrazole
CID 285167
5-(4-{[5-(2-chlorophenyl)-2H-tetrazol-2-yl]methyl}phenyl)-1H-tetrazole
CID 2222207
5-(4-fluorophenyl)-2-(2-methylbenzyl)-2H-tetrazole
CID 738168
5-(2-chlorophenyl)-2-(4-fluorophenyl)-2H-tetrazole
CID 2991055
2-(4-Chloro-benzyl)-5-phenyl-2H-tetrazole
CID 763900
5-(4-Chlorophenyl)-2-(3-iodoprop-2-ynyl)tetrazole
CID 497155
5-(3-Chlorophenyl)-2-(3-iodoprop-2-ynyl)tetrazole
CID 497161

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)tetrazole?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)tetrazole (CID 685751) is 2-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)tetrazole.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)tetrazole?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)tetrazole is Fc1ccc(-c2nnn(Cc3ccccc3Cl)n2)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)tetrazole?
The InChIKey is BITFYXYDSVPGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4/c15-13-4-2-1-3-11(13)9-20-18-14(17-19-20)10-5-7-12(16)8-6-10/h1-8H,9H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)tetrazole?
2-[(2-chlorophenyl)methyl]-5-(4-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-(4-fluorophenyl)tetrazole is sourced from PubChem (CID 685751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).