5-(4-fluorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]tetrazole

C15H10F4N4 — CID 27268965

IUPAC5-(4-fluorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]tetrazole
SMILESFc1ccc(-c2nnn(Cc3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C15H10F4N4/c16-13-7-3-11(4-8-13)14-20-22-23(21-14)9-10-1-5-12(6-2-10)15(17,18)19/h1-8H,9H2
InChIKeyBFBQCZNOKZQQEJ-UHFFFAOYSA-N
MW322.27 g/mol
LogP3.55
Rot. Bonds3

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

5-(4-fluorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]tetrazole (PubChem CID 27268965) has the molecular formula C15H10F4N4 and a molecular weight of 322.27 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]tetrazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]tetrazole
PubChem CID27268965
Molecular FormulaC15H10F4N4
Molecular Weight322.27 g/mol
Exact Mass322.08
IUPAC Name5-(4-fluorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]tetrazole
SMILESFc1ccc(-c2nnn(Cc3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C15H10F4N4/c16-13-7-3-11(4-8-13)14-20-22-23(21-14)9-10-1-5-12(6-2-10)15(17,18)19/h1-8H,9H2
InChIKeyBFBQCZNOKZQQEJ-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 5-(4-fluorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]tetrazole?
The IUPAC name of 5-(4-fluorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]tetrazole (CID 27268965) is 5-(4-fluorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]tetrazole.
What is the SMILES notation for 5-(4-fluorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]tetrazole?
The canonical SMILES for 5-(4-fluorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]tetrazole is Fc1ccc(-c2nnn(Cc3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]tetrazole?
The InChIKey is BFBQCZNOKZQQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N4/c16-13-7-3-11(4-8-13)14-20-22-23(21-14)9-10-1-5-12(6-2-10)15(17,18)19/h1-8H,9H2.
What are the key properties of 5-(4-fluorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]tetrazole?
5-(4-fluorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]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 5-(4-fluorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]tetrazole is sourced from PubChem (CID 27268965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).