1-(4-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole

C10H7F5N4O — CID 23118012

IUPAC1-(4-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole
SMILESCOc1ccc(-n2nnnc2C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C10H7F5N4O/c1-20-7-4-2-6(3-5-7)19-8(16-17-18-19)9(11,12)10(13,14)15/h2-5H,1H3
InChIKeyBCFNQFUJXYVIQU-UHFFFAOYSA-N
MW294.18 g/mol
LogP2.33
Rot. Bonds3

About 1-(4-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole

1-(4-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole (PubChem CID 23118012) has the molecular formula C10H7F5N4O and a molecular weight of 294.18 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole
PubChem CID23118012
Molecular FormulaC10H7F5N4O
Molecular Weight294.18 g/mol
Exact Mass294.05
IUPAC Name1-(4-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole
SMILESCOc1ccc(-n2nnnc2C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C10H7F5N4O/c1-20-7-4-2-6(3-5-7)19-8(16-17-18-19)9(11,12)10(13,14)15/h2-5H,1H3
InChIKeyBCFNQFUJXYVIQU-UHFFFAOYSA-N
XLogP2.33
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-(4-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole?
The IUPAC name of 1-(4-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole (CID 23118012) is 1-(4-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole?
The canonical SMILES for 1-(4-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole is COc1ccc(-n2nnnc2C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole?
The InChIKey is BCFNQFUJXYVIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5N4O/c1-20-7-4-2-6(3-5-7)19-8(16-17-18-19)9(11,12)10(13,14)15/h2-5H,1H3.
What are the key properties of 1-(4-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole?
1-(4-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole has a molecular weight of 294.18 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole is sourced from PubChem (CID 23118012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).