FEWAUEGSAQZPTD-UHFFFAOYSA-N

C₈H₄F₆N₄ — CID 23461157

About FEWAUEGSAQZPTD-UHFFFAOYSA-N

FEWAUEGSAQZPTD-UHFFFAOYSA-N (PubChem CID 23461157) has the molecular formula C₈H₄F₆N₄ and a molecular weight of 270.14 g/mol. Its IUPAC name is 2-azido-4,6-bis(trifluoromethyl)aniline.

Molecular Properties

• Compound Name: FEWAUEGSAQZPTD-UHFFFAOYSA-N
• PubChem CID: 23461157
• Molecular Formula: C₈H₄F₆N₄
• Molecular Weight: 270.14 g/mol
• Exact Mass: 270.03
• IUPAC Name: 2-azido-4,6-bis(trifluoromethyl)aniline
• SMILES: [N-]=[N+]=Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1N
• InChI: InChI=1S/C8H4F6N4/c9-7(10,11)3-1-4(8(12,13)14)6(15)5(2-3)17-18-16/h1-2H,15H2
• InChIKey: FEWAUEGSAQZPTD-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 74.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	270.14
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of FEWAUEGSAQZPTD-UHFFFAOYSA-N?

The IUPAC name of FEWAUEGSAQZPTD-UHFFFAOYSA-N (CID 23461157) is 2-azido-4,6-bis(trifluoromethyl)aniline.

What is the SMILES notation for FEWAUEGSAQZPTD-UHFFFAOYSA-N?

The canonical SMILES for FEWAUEGSAQZPTD-UHFFFAOYSA-N is [N-]=[N+]=Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1N.

What is the InChIKey of FEWAUEGSAQZPTD-UHFFFAOYSA-N?

The InChIKey is FEWAUEGSAQZPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6N4/c9-7(10,11)3-1-4(8(12,13)14)6(15)5(2-3)17-18-16/h1-2H,15H2.

What are the key properties of FEWAUEGSAQZPTD-UHFFFAOYSA-N?

FEWAUEGSAQZPTD-UHFFFAOYSA-N has a molecular weight of 270.14 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for FEWAUEGSAQZPTD-UHFFFAOYSA-N is sourced from PubChem (CID 23461157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 23461157 — identifiers, structure, computed properties (public domain)

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