FKRVXZXCMWMQPL-UHFFFAOYSA-N

C₂₀H₁₄F₆N₂ — CID 154008592

About FKRVXZXCMWMQPL-UHFFFAOYSA-N

FKRVXZXCMWMQPL-UHFFFAOYSA-N (PubChem CID 154008592) has the molecular formula C₂₀H₁₄F₆N₂ and a molecular weight of 396.33 g/mol. Its IUPAC name is 4-[2-(4-aminophenyl)phenyl]-2,3-bis(trifluoromethyl)aniline.

Molecular Properties

• Compound Name: FKRVXZXCMWMQPL-UHFFFAOYSA-N
• PubChem CID: 154008592
• Molecular Formula: C₂₀H₁₄F₆N₂
• Molecular Weight: 396.33 g/mol
• Exact Mass: 396.11
• IUPAC Name: 4-[2-(4-aminophenyl)phenyl]-2,3-bis(trifluoromethyl)aniline
• SMILES: Nc1ccc(-c2ccccc2-c2ccc(N)c(C(F)(F)F)c2C(F)(F)F)cc1
• InChI: InChI=1S/C20H14F6N2/c21-19(22,23)17-15(9-10-16(28)18(17)20(24,25)26)14-4-2-1-3-13(14)11-5-7-12(27)8-6-11/h1-10H,27-28H2
• InChIKey: FKRVXZXCMWMQPL-UHFFFAOYSA-N
• XLogP: 6.22
• TPSA: 52.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	396.33
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of FKRVXZXCMWMQPL-UHFFFAOYSA-N (CID 154008592) is 4-[2-(4-aminophenyl)phenyl]-2,3-bis(trifluoromethyl)aniline.

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

The canonical SMILES for FKRVXZXCMWMQPL-UHFFFAOYSA-N is Nc1ccc(-c2ccccc2-c2ccc(N)c(C(F)(F)F)c2C(F)(F)F)cc1.

What is the InChIKey of FKRVXZXCMWMQPL-UHFFFAOYSA-N?

The InChIKey is FKRVXZXCMWMQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F6N2/c21-19(22,23)17-15(9-10-16(28)18(17)20(24,25)26)14-4-2-1-3-13(14)11-5-7-12(27)8-6-11/h1-10H,27-28H2.

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

FKRVXZXCMWMQPL-UHFFFAOYSA-N has a molecular weight of 396.33 g/mol, XLogP of 6.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for FKRVXZXCMWMQPL-UHFFFAOYSA-N is sourced from PubChem (CID 154008592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154008592 — identifiers, structure, computed properties (public domain)

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