4-[2-fluoro-4-(tetrazol-1-yl)phenyl]morpholine

C11H12FN5O — CID 162787637

IUPAC4-[2-fluoro-4-(tetrazol-1-yl)phenyl]morpholine
SMILESFc1cc(-n2cnnn2)ccc1N1CCOCC1
InChIInChI=1S/C11H12FN5O/c12-10-7-9(17-8-13-14-15-17)1-2-11(10)16-3-5-18-6-4-16/h1-2,7-8H,3-6H2
InChIKeyMBZNKEWVDIMPDV-UHFFFAOYSA-N
MW249.25 g/mol
LogP0.64
Rot. Bonds2

About 4-[2-fluoro-4-(tetrazol-1-yl)phenyl]morpholine

4-[2-fluoro-4-(tetrazol-1-yl)phenyl]morpholine (PubChem CID 162787637) has the molecular formula C11H12FN5O and a molecular weight of 249.25 g/mol. Its IUPAC name is 4-[2-fluoro-4-(tetrazol-1-yl)phenyl]morpholine.

Molecular Properties

Compound Name4-[2-fluoro-4-(tetrazol-1-yl)phenyl]morpholine
PubChem CID162787637
Molecular FormulaC11H12FN5O
Molecular Weight249.25 g/mol
Exact Mass249.10
IUPAC Name4-[2-fluoro-4-(tetrazol-1-yl)phenyl]morpholine
SMILESFc1cc(-n2cnnn2)ccc1N1CCOCC1
InChIInChI=1S/C11H12FN5O/c12-10-7-9(17-8-13-14-15-17)1-2-11(10)16-3-5-18-6-4-16/h1-2,7-8H,3-6H2
InChIKeyMBZNKEWVDIMPDV-UHFFFAOYSA-N
XLogP0.64
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-[2-fluoro-4-(tetrazol-1-yl)phenyl]morpholine 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 4-[2-fluoro-4-(tetrazol-1-yl)phenyl]morpholine?
The IUPAC name of 4-[2-fluoro-4-(tetrazol-1-yl)phenyl]morpholine (CID 162787637) is 4-[2-fluoro-4-(tetrazol-1-yl)phenyl]morpholine.
What is the SMILES notation for 4-[2-fluoro-4-(tetrazol-1-yl)phenyl]morpholine?
The canonical SMILES for 4-[2-fluoro-4-(tetrazol-1-yl)phenyl]morpholine is Fc1cc(-n2cnnn2)ccc1N1CCOCC1.
What is the InChIKey of 4-[2-fluoro-4-(tetrazol-1-yl)phenyl]morpholine?
The InChIKey is MBZNKEWVDIMPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O/c12-10-7-9(17-8-13-14-15-17)1-2-11(10)16-3-5-18-6-4-16/h1-2,7-8H,3-6H2.
What are the key properties of 4-[2-fluoro-4-(tetrazol-1-yl)phenyl]morpholine?
4-[2-fluoro-4-(tetrazol-1-yl)phenyl]morpholine has a molecular weight of 249.25 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-(tetrazol-1-yl)phenyl]morpholine is sourced from PubChem (CID 162787637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).