2-[(2-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]tetrazole

C15H10F4N4 — CID 7845051

IUPAC2-[(2-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]tetrazole
SMILESFc1ccccc1Cn1nnc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H10F4N4/c16-13-7-2-1-4-11(13)9-23-21-14(20-22-23)10-5-3-6-12(8-10)15(17,18)19/h1-8H,9H2
InChIKeyLJYALBWSDWFZTF-UHFFFAOYSA-N
MW322.27 g/mol
LogP3.55
Rot. Bonds3

About 2-[(2-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]tetrazole

2-[(2-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]tetrazole (PubChem CID 7845051) has the molecular formula C15H10F4N4 and a molecular weight of 322.27 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]tetrazole.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]tetrazole
PubChem CID7845051
Molecular FormulaC15H10F4N4
Molecular Weight322.27 g/mol
Exact Mass322.08
IUPAC Name2-[(2-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]tetrazole
SMILESFc1ccccc1Cn1nnc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H10F4N4/c16-13-7-2-1-4-11(13)9-23-21-14(20-22-23)10-5-3-6-12(8-10)15(17,18)19/h1-8H,9H2
InChIKeyLJYALBWSDWFZTF-UHFFFAOYSA-N
XLogP3.55
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]tetrazole?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]tetrazole (CID 7845051) is 2-[(2-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]tetrazole.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]tetrazole?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]tetrazole is Fc1ccccc1Cn1nnc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]tetrazole?
The InChIKey is LJYALBWSDWFZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N4/c16-13-7-2-1-4-11(13)9-23-21-14(20-22-23)10-5-3-6-12(8-10)15(17,18)19/h1-8H,9H2.
What are the key properties of 2-[(2-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]tetrazole?
2-[(2-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]tetrazole has a molecular weight of 322.27 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]tetrazole is sourced from PubChem (CID 7845051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).