1-(4-methoxyphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone

C17H13F3N4O2 — CID 7419843

IUPAC1-(4-methoxyphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone
SMILESCOc1ccc(C(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C17H13F3N4O2/c1-26-14-7-5-11(6-8-14)15(25)10-24-22-16(21-23-24)12-3-2-4-13(9-12)17(18,19)20/h2-9H,10H2,1H3
InChIKeyWIFPSNZYHQHRMJ-UHFFFAOYSA-N
MW362.31 g/mol
LogP3.25
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone

1-(4-methoxyphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone (PubChem CID 7419843) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone
PubChem CID7419843
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC Name1-(4-methoxyphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone
SMILESCOc1ccc(C(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C17H13F3N4O2/c1-26-14-7-5-11(6-8-14)15(25)10-24-22-16(21-23-24)12-3-2-4-13(9-12)17(18,19)20/h2-9H,10H2,1H3
InChIKeyWIFPSNZYHQHRMJ-UHFFFAOYSA-N
XLogP3.25
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone (CID 7419843) is 1-(4-methoxyphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone is COc1ccc(C(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone?
The InChIKey is WIFPSNZYHQHRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c1-26-14-7-5-11(6-8-14)15(25)10-24-22-16(21-23-24)12-3-2-4-13(9-12)17(18,19)20/h2-9H,10H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone?
1-(4-methoxyphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone has a molecular weight of 362.31 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone is sourced from PubChem (CID 7419843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).