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

C11H11F3N4O — CID 23117996

IUPAC1-(4-propoxyphenyl)-5-(trifluoromethyl)tetrazole
SMILESCCCOc1ccc(-n2nnnc2C(F)(F)F)cc1
InChIInChI=1S/C11H11F3N4O/c1-2-7-19-9-5-3-8(4-6-9)18-10(11(12,13)14)15-16-17-18/h3-6H,2,7H2,1H3
InChIKeyIFAQNCZLKBXMAK-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.47
Rot. Bonds4

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

1-(4-propoxyphenyl)-5-(trifluoromethyl)tetrazole (PubChem CID 23117996) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is 1-(4-propoxyphenyl)-5-(trifluoromethyl)tetrazole.

Molecular Properties

Compound Name1-(4-propoxyphenyl)-5-(trifluoromethyl)tetrazole
PubChem CID23117996
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC Name1-(4-propoxyphenyl)-5-(trifluoromethyl)tetrazole
SMILESCCCOc1ccc(-n2nnnc2C(F)(F)F)cc1
InChIInChI=1S/C11H11F3N4O/c1-2-7-19-9-5-3-8(4-6-9)18-10(11(12,13)14)15-16-17-18/h3-6H,2,7H2,1H3
InChIKeyIFAQNCZLKBXMAK-UHFFFAOYSA-N
XLogP2.47
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(trifluoromethyl)tetrazol-1-yl]phenol
CID 21197249
[4-[5-(trifluoromethyl)tetrazol-1-yl]phenyl] 2-methylpropanoate
CID 24797877
1-phenyl-5-(trifluoromethyl)tetrazole
CID 11206655
1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)tetrazole
CID 15470711
[2-(2-fluoroethoxy)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methanamine
CID 89279938
2-[4-(5-methyltetrazol-1-yl)phenoxy]ethanamine
CID 82512738
5-(1,1,2,2,2-pentafluoroethyl)-1-(2-propoxyphenyl)tetrazole
CID 87633879
1-(3-bromo-4-methoxyphenyl)-5-(trifluoromethyl)tetrazole
CID 10947253
4-(4-propoxyphenyl)-1,2,4-triazole
CID 91684257
2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]benzonitrile
CID 85196378
2-[3-(4-propoxyphenyl)triazol-4-yl]ethanamine
CID 112518516
[1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride
CID 119106406

Frequently Asked Questions

What is the IUPAC name of 1-(4-propoxyphenyl)-5-(trifluoromethyl)tetrazole?
The IUPAC name of 1-(4-propoxyphenyl)-5-(trifluoromethyl)tetrazole (CID 23117996) is 1-(4-propoxyphenyl)-5-(trifluoromethyl)tetrazole.
What is the SMILES notation for 1-(4-propoxyphenyl)-5-(trifluoromethyl)tetrazole?
The canonical SMILES for 1-(4-propoxyphenyl)-5-(trifluoromethyl)tetrazole is CCCOc1ccc(-n2nnnc2C(F)(F)F)cc1.
What is the InChIKey of 1-(4-propoxyphenyl)-5-(trifluoromethyl)tetrazole?
The InChIKey is IFAQNCZLKBXMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c1-2-7-19-9-5-3-8(4-6-9)18-10(11(12,13)14)15-16-17-18/h3-6H,2,7H2,1H3.
What are the key properties of 1-(4-propoxyphenyl)-5-(trifluoromethyl)tetrazole?
1-(4-propoxyphenyl)-5-(trifluoromethyl)tetrazole has a molecular weight of 272.23 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propoxyphenyl)-5-(trifluoromethyl)tetrazole is sourced from PubChem (CID 23117996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).