2,5-bis(trifluoromethyl)aniline

C8H5F6N — CID 719818

IUPAC2,5-bis(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C8H5F6N/c9-7(10,11)4-1-2-5(6(15)3-4)8(12,13)14/h1-3H,15H2
InChIKeyXWMVIJUAZAEWIE-UHFFFAOYSA-N
MW229.12 g/mol
LogP3.31
Rot. Bonds

About 2,5-bis(trifluoromethyl)aniline

2,5-bis(trifluoromethyl)aniline (PubChem CID 719818) has the molecular formula C8H5F6N and a molecular weight of 229.12 g/mol. Its IUPAC name is 2,5-bis(trifluoromethyl)aniline.

Molecular Properties

Compound Name2,5-bis(trifluoromethyl)aniline
PubChem CID719818
Molecular FormulaC8H5F6N
Molecular Weight229.12 g/mol
Exact Mass229.03
IUPAC Name2,5-bis(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C8H5F6N/c9-7(10,11)4-1-2-5(6(15)3-4)8(12,13)14/h1-3H,15H2
InChIKeyXWMVIJUAZAEWIE-UHFFFAOYSA-N
XLogP3.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(trifluoromethyl)aniline?
The IUPAC name of 2,5-bis(trifluoromethyl)aniline (CID 719818) is 2,5-bis(trifluoromethyl)aniline.
What is the SMILES notation for 2,5-bis(trifluoromethyl)aniline?
The canonical SMILES for 2,5-bis(trifluoromethyl)aniline is Nc1cc(C(F)(F)F)ccc1C(F)(F)F.
What is the InChIKey of 2,5-bis(trifluoromethyl)aniline?
The InChIKey is XWMVIJUAZAEWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6N/c9-7(10,11)4-1-2-5(6(15)3-4)8(12,13)14/h1-3H,15H2.
What are the key properties of 2,5-bis(trifluoromethyl)aniline?
2,5-bis(trifluoromethyl)aniline has a molecular weight of 229.12 g/mol, XLogP of 3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(trifluoromethyl)aniline is sourced from PubChem (CID 719818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).