2-[(4-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]tetrazole

C15H10F4N4 — CID 2730905

IUPAC2-[(4-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]tetrazole
SMILESFc1ccc(Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C15H10F4N4/c16-13-6-4-10(5-7-13)9-23-21-14(20-22-23)11-2-1-3-12(8-11)15(17,18)19/h1-8H,9H2
InChIKeyRTAHQCFFBMRKFI-UHFFFAOYSA-N
MW322.27 g/mol
LogP3.55
Rot. Bonds3

About 2-[(4-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]tetrazole

2-[(4-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]tetrazole (PubChem CID 2730905) has the molecular formula C15H10F4N4 and a molecular weight of 322.27 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]tetrazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]tetrazole
PubChem CID2730905
Molecular FormulaC15H10F4N4
Molecular Weight322.27 g/mol
Exact Mass322.08
IUPAC Name2-[(4-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]tetrazole
SMILESFc1ccc(Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C15H10F4N4/c16-13-6-4-10(5-7-13)9-23-21-14(20-22-23)11-2-1-3-12(8-11)15(17,18)19/h1-8H,9H2
InChIKeyRTAHQCFFBMRKFI-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-[(4-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]tetrazole?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]tetrazole (CID 2730905) is 2-[(4-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]tetrazole.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]tetrazole?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]tetrazole is Fc1ccc(Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]tetrazole?
The InChIKey is RTAHQCFFBMRKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N4/c16-13-6-4-10(5-7-13)9-23-21-14(20-22-23)11-2-1-3-12(8-11)15(17,18)19/h1-8H,9H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]tetrazole?
2-[(4-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-[(4-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]tetrazole is sourced from PubChem (CID 2730905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).