N-(fluoromethyl)-N-phenyl-2H-tetrazol-5-amine

C8H8FN5 — CID 141001774

IUPACN-(fluoromethyl)-N-phenyl-2H-tetrazol-5-amine
SMILESFCN(c1ccccc1)c1nn[nH]n1
InChIInChI=1S/C8H8FN5/c9-6-14(8-10-12-13-11-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11,12,13)
InChIKeyKICDKTKEFYHMLW-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.26
Rot. Bonds3

About N-(fluoromethyl)-N-phenyl-2H-tetrazol-5-amine

N-(fluoromethyl)-N-phenyl-2H-tetrazol-5-amine (PubChem CID 141001774) has the molecular formula C8H8FN5 and a molecular weight of 193.18 g/mol. Its IUPAC name is N-(fluoromethyl)-N-phenyl-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-(fluoromethyl)-N-phenyl-2H-tetrazol-5-amine
PubChem CID141001774
Molecular FormulaC8H8FN5
Molecular Weight193.18 g/mol
Exact Mass193.08
IUPAC NameN-(fluoromethyl)-N-phenyl-2H-tetrazol-5-amine
SMILESFCN(c1ccccc1)c1nn[nH]n1
InChIInChI=1S/C8H8FN5/c9-6-14(8-10-12-13-11-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11,12,13)
InChIKeyKICDKTKEFYHMLW-UHFFFAOYSA-N
XLogP1.26
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-(fluoromethyl)-N-phenyl-2H-tetrazol-5-amine 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 N-(fluoromethyl)-N-phenyl-2H-tetrazol-5-amine?
The IUPAC name of N-(fluoromethyl)-N-phenyl-2H-tetrazol-5-amine (CID 141001774) is N-(fluoromethyl)-N-phenyl-2H-tetrazol-5-amine.
What is the SMILES notation for N-(fluoromethyl)-N-phenyl-2H-tetrazol-5-amine?
The canonical SMILES for N-(fluoromethyl)-N-phenyl-2H-tetrazol-5-amine is FCN(c1ccccc1)c1nn[nH]n1.
What is the InChIKey of N-(fluoromethyl)-N-phenyl-2H-tetrazol-5-amine?
The InChIKey is KICDKTKEFYHMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN5/c9-6-14(8-10-12-13-11-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11,12,13).
What are the key properties of N-(fluoromethyl)-N-phenyl-2H-tetrazol-5-amine?
N-(fluoromethyl)-N-phenyl-2H-tetrazol-5-amine has a molecular weight of 193.18 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoromethyl)-N-phenyl-2H-tetrazol-5-amine is sourced from PubChem (CID 141001774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).