2,4,5-trifluoro-3,6-dimethylaniline

C8H8F3N — CID 23359007

IUPAC2,4,5-trifluoro-3,6-dimethylaniline
SMILESCc1c(N)c(F)c(C)c(F)c1F
InChIInChI=1S/C8H8F3N/c1-3-5(9)6(10)4(2)8(12)7(3)11/h12H2,1-2H3
InChIKeyFFISVCIYPFSVDX-UHFFFAOYSA-N
MW175.15 g/mol
LogP2.30
Rot. Bonds

About 2,4,5-trifluoro-3,6-dimethylaniline

2,4,5-trifluoro-3,6-dimethylaniline (PubChem CID 23359007) has the molecular formula C8H8F3N and a molecular weight of 175.15 g/mol. Its IUPAC name is 2,4,5-trifluoro-3,6-dimethylaniline.

Molecular Properties

Compound Name2,4,5-trifluoro-3,6-dimethylaniline
PubChem CID23359007
Molecular FormulaC8H8F3N
Molecular Weight175.15 g/mol
Exact Mass175.06
IUPAC Name2,4,5-trifluoro-3,6-dimethylaniline
SMILESCc1c(N)c(F)c(C)c(F)c1F
InChIInChI=1S/C8H8F3N/c1-3-5(9)6(10)4(2)8(12)7(3)11/h12H2,1-2H3
InChIKeyFFISVCIYPFSVDX-UHFFFAOYSA-N
XLogP2.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-3,6-dimethylaniline?
The IUPAC name of 2,4,5-trifluoro-3,6-dimethylaniline (CID 23359007) is 2,4,5-trifluoro-3,6-dimethylaniline.
What is the SMILES notation for 2,4,5-trifluoro-3,6-dimethylaniline?
The canonical SMILES for 2,4,5-trifluoro-3,6-dimethylaniline is Cc1c(N)c(F)c(C)c(F)c1F.
What is the InChIKey of 2,4,5-trifluoro-3,6-dimethylaniline?
The InChIKey is FFISVCIYPFSVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N/c1-3-5(9)6(10)4(2)8(12)7(3)11/h12H2,1-2H3.
What are the key properties of 2,4,5-trifluoro-3,6-dimethylaniline?
2,4,5-trifluoro-3,6-dimethylaniline has a molecular weight of 175.15 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-3,6-dimethylaniline is sourced from PubChem (CID 23359007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).