1-(4-fluorophenyl)-2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]ethanone

C19H19FN4O2 — CID 1136551

IUPAC1-(4-fluorophenyl)-2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]ethanone
SMILESCC(C)COc1ccc(-c2nnn(CC(=O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H19FN4O2/c1-13(2)12-26-17-9-5-15(6-10-17)19-21-23-24(22-19)11-18(25)14-3-7-16(20)8-4-14/h3-10,13H,11-12H2,1-2H3
InChIKeyTYINZWHXXDZGBN-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.40
Rot. Bonds7

About 1-(4-fluorophenyl)-2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]ethanone

1-(4-fluorophenyl)-2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]ethanone (PubChem CID 1136551) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]ethanone
PubChem CID1136551
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name1-(4-fluorophenyl)-2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]ethanone
SMILESCC(C)COc1ccc(-c2nnn(CC(=O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H19FN4O2/c1-13(2)12-26-17-9-5-15(6-10-17)19-21-23-24(22-19)11-18(25)14-3-7-16(20)8-4-14/h3-10,13H,11-12H2,1-2H3
InChIKeyTYINZWHXXDZGBN-UHFFFAOYSA-N
XLogP3.40
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]ethanone (CID 1136551) is 1-(4-fluorophenyl)-2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]ethanone is CC(C)COc1ccc(-c2nnn(CC(=O)c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]ethanone?
The InChIKey is TYINZWHXXDZGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-13(2)12-26-17-9-5-15(6-10-17)19-21-23-24(22-19)11-18(25)14-3-7-16(20)8-4-14/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]ethanone?
1-(4-fluorophenyl)-2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]ethanone has a molecular weight of 354.39 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]ethanone is sourced from PubChem (CID 1136551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).