1-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)tetrazole

C15H11F3N4O — CID 21197251

IUPAC1-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)tetrazole
SMILESFC(F)(F)c1nnnn1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H11F3N4O/c16-15(17,18)14-19-20-21-22(14)12-6-8-13(9-7-12)23-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyPHMJZCMURONFOQ-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.26
Rot. Bonds4

About 1-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)tetrazole

1-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)tetrazole (PubChem CID 21197251) has the molecular formula C15H11F3N4O and a molecular weight of 320.27 g/mol. Its IUPAC name is 1-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)tetrazole.

Molecular Properties

Compound Name1-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)tetrazole
PubChem CID21197251
Molecular FormulaC15H11F3N4O
Molecular Weight320.27 g/mol
Exact Mass320.09
IUPAC Name1-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)tetrazole
SMILESFC(F)(F)c1nnnn1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H11F3N4O/c16-15(17,18)14-19-20-21-22(14)12-6-8-13(9-7-12)23-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyPHMJZCMURONFOQ-UHFFFAOYSA-N
XLogP3.26
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)tetrazole?
The IUPAC name of 1-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)tetrazole (CID 21197251) is 1-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)tetrazole.
What is the SMILES notation for 1-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)tetrazole?
The canonical SMILES for 1-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)tetrazole is FC(F)(F)c1nnnn1-c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)tetrazole?
The InChIKey is PHMJZCMURONFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O/c16-15(17,18)14-19-20-21-22(14)12-6-8-13(9-7-12)23-10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 1-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)tetrazole?
1-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)tetrazole has a molecular weight of 320.27 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)tetrazole is sourced from PubChem (CID 21197251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).