1-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)ethanol

C10H11FN4O — CID 70403797

IUPAC1-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)ethanol
SMILESCn1nnnc1CC(O)c1ccc(F)cc1
InChIInChI=1S/C10H11FN4O/c1-15-10(12-13-14-15)6-9(16)7-2-4-8(11)5-3-7/h2-5,9,16H,6H2,1H3
InChIKeyNLGRRDLMIIQYAS-UHFFFAOYSA-N
MW222.22 g/mol
LogP0.63
Rot. Bonds3

About 1-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)ethanol

1-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)ethanol (PubChem CID 70403797) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)ethanol
PubChem CID70403797
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Name1-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)ethanol
SMILESCn1nnnc1CC(O)c1ccc(F)cc1
InChIInChI=1S/C10H11FN4O/c1-15-10(12-13-14-15)6-9(16)7-2-4-8(11)5-3-7/h2-5,9,16H,6H2,1H3
InChIKeyNLGRRDLMIIQYAS-UHFFFAOYSA-N
XLogP0.63
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)ethanol 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-fluorophenyl)-2-(1-methyltetrazol-5-yl)ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)ethanol (CID 70403797) is 1-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)ethanol is Cn1nnnc1CC(O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)ethanol?
The InChIKey is NLGRRDLMIIQYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O/c1-15-10(12-13-14-15)6-9(16)7-2-4-8(11)5-3-7/h2-5,9,16H,6H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)ethanol?
1-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)ethanol has a molecular weight of 222.22 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)ethanol is sourced from PubChem (CID 70403797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).