3,5-difluoro-2-(trifluoromethyl)aniline

C7H4F5N — CID 2783410

IUPAC3,5-difluoro-2-(trifluoromethyl)aniline
SMILESNc1cc(F)cc(F)c1C(F)(F)F
InChIInChI=1S/C7H4F5N/c8-3-1-4(9)6(5(13)2-3)7(10,11)12/h1-2H,13H2
InChIKeyIISXXYSSIKCYFQ-UHFFFAOYSA-N
MW197.11 g/mol
LogP2.57
Rot. Bonds

About 3,5-difluoro-2-(trifluoromethyl)aniline

3,5-difluoro-2-(trifluoromethyl)aniline (PubChem CID 2783410) has the molecular formula C7H4F5N and a molecular weight of 197.11 g/mol. Its IUPAC name is 3,5-difluoro-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3,5-difluoro-2-(trifluoromethyl)aniline
PubChem CID2783410
Molecular FormulaC7H4F5N
Molecular Weight197.11 g/mol
Exact Mass197.03
IUPAC Name3,5-difluoro-2-(trifluoromethyl)aniline
SMILESNc1cc(F)cc(F)c1C(F)(F)F
InChIInChI=1S/C7H4F5N/c8-3-1-4(9)6(5(13)2-3)7(10,11)12/h1-2H,13H2
InChIKeyIISXXYSSIKCYFQ-UHFFFAOYSA-N
XLogP2.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.11
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,5-difluoro-2-(trifluoromethyl)aniline 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 3,5-difluoro-2-(trifluoromethyl)aniline?
The IUPAC name of 3,5-difluoro-2-(trifluoromethyl)aniline (CID 2783410) is 3,5-difluoro-2-(trifluoromethyl)aniline.
What is the SMILES notation for 3,5-difluoro-2-(trifluoromethyl)aniline?
The canonical SMILES for 3,5-difluoro-2-(trifluoromethyl)aniline is Nc1cc(F)cc(F)c1C(F)(F)F.
What is the InChIKey of 3,5-difluoro-2-(trifluoromethyl)aniline?
The InChIKey is IISXXYSSIKCYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5N/c8-3-1-4(9)6(5(13)2-3)7(10,11)12/h1-2H,13H2.
What are the key properties of 3,5-difluoro-2-(trifluoromethyl)aniline?
3,5-difluoro-2-(trifluoromethyl)aniline has a molecular weight of 197.11 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-(trifluoromethyl)aniline is sourced from PubChem (CID 2783410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).