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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Related Compounds

2-Amino-3,5,6-trifluoroterephthalonitrile
CID 607519
2-Methyl-5-(trifluoromethyl)aniline
CID 2735933
4-Fluoro-2,3,5,6-tetramethyl-phenylamine
CID 3728185
2-Fluoro-6-methylaniline
CID 14155411
2,6-Difluoro-3-methylaniline
CID 15017536
5-Methyl-2-(trifluoromethyl)aniline
CID 20148822
2,4-Difluoro-6-methylaniline
CID 20479387
5-Ethyl-4-fluoro-2-methylaniline
CID 67072097
5-(1,1-Difluoroethyl)-2-methylaniline
CID 84654058
4-Fluoro-2-methyl-5-(propan-2-yl)aniline
CID 107593673
2,3,5,6-Tetrafluoro-4-methylaniline
CID 12566450
4-Butyl-2,3,5,6-tetrafluorobenzenamine
CID 12566451

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).