1-(2-propoxyphenyl)-5-(trifluoromethyl)tetrazole

C11H11F3N4O — CID 23117979

IUPAC1-(2-propoxyphenyl)-5-(trifluoromethyl)tetrazole
SMILESCCCOc1ccccc1-n1nnnc1C(F)(F)F
InChIInChI=1S/C11H11F3N4O/c1-2-7-19-9-6-4-3-5-8(9)18-10(11(12,13)14)15-16-17-18/h3-6H,2,7H2,1H3
InChIKeyDXQHCZIAOYLIEJ-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.47
Rot. Bonds4

About 1-(2-propoxyphenyl)-5-(trifluoromethyl)tetrazole

1-(2-propoxyphenyl)-5-(trifluoromethyl)tetrazole (PubChem CID 23117979) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is 1-(2-propoxyphenyl)-5-(trifluoromethyl)tetrazole.

Molecular Properties

Compound Name1-(2-propoxyphenyl)-5-(trifluoromethyl)tetrazole
PubChem CID23117979
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC Name1-(2-propoxyphenyl)-5-(trifluoromethyl)tetrazole
SMILESCCCOc1ccccc1-n1nnnc1C(F)(F)F
InChIInChI=1S/C11H11F3N4O/c1-2-7-19-9-6-4-3-5-8(9)18-10(11(12,13)14)15-16-17-18/h3-6H,2,7H2,1H3
InChIKeyDXQHCZIAOYLIEJ-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

5-[(4-Bromophenoxy)methyl]-1-phenyltetrazole
CID 2947701
5-(Phenoxymethyl)-1-phenyltetrazole
CID 2969379
5-(4-Methoxy-phenoxymethyl)-1-phenyl-1H-tetrazole
CID 3142138
N,N-dimethyl-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3,4-tetraazol-5-amine
CID 1475259
Methyl 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate
CID 2614037
5-[(4-methylphenoxy)methyl]-1-phenyl-1H-tetrazole
CID 2947414
5-(4-Chloro-phenoxymethyl)-1-phenyl-1H-tetrazole
CID 3142137
N,N'-dimethyl-N'-[[1-[4-(2,2,2-trifluoroethoxy)phenyl]tetrazol-5-yl]methyl]ethane-1,2-diamine
CID 156015682
2-[(1-phenyl-1H-tetrazol-5-yl)oxy]aniline
CID 1079791
1-(2-methoxyphenyl)-1H-tetrazole
CID 11615269
1-(2-ethoxyphenyl)-1H-tetrazole
CID 23117961
((E)-(1-(4-ethoxyphenyl)-1H-tetrazol-5-yl)iminomethyl)dimethylamine
CID 139060495

Frequently Asked Questions

What is the IUPAC name of 1-(2-propoxyphenyl)-5-(trifluoromethyl)tetrazole?
The IUPAC name of 1-(2-propoxyphenyl)-5-(trifluoromethyl)tetrazole (CID 23117979) is 1-(2-propoxyphenyl)-5-(trifluoromethyl)tetrazole.
What is the SMILES notation for 1-(2-propoxyphenyl)-5-(trifluoromethyl)tetrazole?
The canonical SMILES for 1-(2-propoxyphenyl)-5-(trifluoromethyl)tetrazole is CCCOc1ccccc1-n1nnnc1C(F)(F)F.
What is the InChIKey of 1-(2-propoxyphenyl)-5-(trifluoromethyl)tetrazole?
The InChIKey is DXQHCZIAOYLIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c1-2-7-19-9-6-4-3-5-8(9)18-10(11(12,13)14)15-16-17-18/h3-6H,2,7H2,1H3.
What are the key properties of 1-(2-propoxyphenyl)-5-(trifluoromethyl)tetrazole?
1-(2-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-(2-propoxyphenyl)-5-(trifluoromethyl)tetrazole is sourced from PubChem (CID 23117979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).