1-(2,4-difluorophenyl)-2-(2H-tetrazol-5-yl)ethanamine

C9H9F2N5 — CID 139015155

IUPAC1-(2,4-difluorophenyl)-2-(2H-tetrazol-5-yl)ethanamine
SMILESNC(Cc1nn[nH]n1)c1ccc(F)cc1F
InChIInChI=1S/C9H9F2N5/c10-5-1-2-6(7(11)3-5)8(12)4-9-13-15-16-14-9/h1-3,8H,4,12H2,(H,13,14,15,16)
InChIKeyQNOGYABDMKYXMN-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.72
Rot. Bonds3

About 1-(2,4-difluorophenyl)-2-(2H-tetrazol-5-yl)ethanamine

1-(2,4-difluorophenyl)-2-(2H-tetrazol-5-yl)ethanamine (PubChem CID 139015155) has the molecular formula C9H9F2N5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(2H-tetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(2H-tetrazol-5-yl)ethanamine
PubChem CID139015155
Molecular FormulaC9H9F2N5
Molecular Weight225.20 g/mol
Exact Mass225.08
IUPAC Name1-(2,4-difluorophenyl)-2-(2H-tetrazol-5-yl)ethanamine
SMILESNC(Cc1nn[nH]n1)c1ccc(F)cc1F
InChIInChI=1S/C9H9F2N5/c10-5-1-2-6(7(11)3-5)8(12)4-9-13-15-16-14-9/h1-3,8H,4,12H2,(H,13,14,15,16)
InChIKeyQNOGYABDMKYXMN-UHFFFAOYSA-N
XLogP0.72
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-difluorophenyl)-2-(2H-tetrazol-5-yl)ethanamine 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-(2,4-difluorophenyl)-2-(2H-tetrazol-5-yl)ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(2H-tetrazol-5-yl)ethanamine (CID 139015155) is 1-(2,4-difluorophenyl)-2-(2H-tetrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(2H-tetrazol-5-yl)ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(2H-tetrazol-5-yl)ethanamine is NC(Cc1nn[nH]n1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(2H-tetrazol-5-yl)ethanamine?
The InChIKey is QNOGYABDMKYXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N5/c10-5-1-2-6(7(11)3-5)8(12)4-9-13-15-16-14-9/h1-3,8H,4,12H2,(H,13,14,15,16).
What are the key properties of 1-(2,4-difluorophenyl)-2-(2H-tetrazol-5-yl)ethanamine?
1-(2,4-difluorophenyl)-2-(2H-tetrazol-5-yl)ethanamine has a molecular weight of 225.20 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(2H-tetrazol-5-yl)ethanamine is sourced from PubChem (CID 139015155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).