2,3-dimethylaniline;2,2,2-trifluoroacetic acid

C10H12F3NO2 — CID 171932453

IUPAC2,3-dimethylaniline;2,2,2-trifluoroacetic acid
SMILESCc1cccc(N)c1C.O=C(O)C(F)(F)F
InChIInChI=1S/C8H11N.C2HF3O2/c1-6-4-3-5-8(9)7(6)2;3-2(4,5)1(6)7/h3-5H,9H2,1-2H3;(H,6,7)
InChIKeyCMJQUPDZWFIAJO-UHFFFAOYSA-N
MW235.20 g/mol
LogP2.52
Rot. Bonds

About 2,3-dimethylaniline;2,2,2-trifluoroacetic acid

2,3-dimethylaniline;2,2,2-trifluoroacetic acid (PubChem CID 171932453) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2,3-dimethylaniline;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2,3-dimethylaniline;2,2,2-trifluoroacetic acid
PubChem CID171932453
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC Name2,3-dimethylaniline;2,2,2-trifluoroacetic acid
SMILESCc1cccc(N)c1C.O=C(O)C(F)(F)F
InChIInChI=1S/C8H11N.C2HF3O2/c1-6-4-3-5-8(9)7(6)2;3-2(4,5)1(6)7/h3-5H,9H2,1-2H3;(H,6,7)
InChIKeyCMJQUPDZWFIAJO-UHFFFAOYSA-N
XLogP2.52
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylaniline;2,2,2-trifluoroacetic acid?
The IUPAC name of 2,3-dimethylaniline;2,2,2-trifluoroacetic acid (CID 171932453) is 2,3-dimethylaniline;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2,3-dimethylaniline;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2,3-dimethylaniline;2,2,2-trifluoroacetic acid is Cc1cccc(N)c1C.O=C(O)C(F)(F)F.
What is the InChIKey of 2,3-dimethylaniline;2,2,2-trifluoroacetic acid?
The InChIKey is CMJQUPDZWFIAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C2HF3O2/c1-6-4-3-5-8(9)7(6)2;3-2(4,5)1(6)7/h3-5H,9H2,1-2H3;(H,6,7).
What are the key properties of 2,3-dimethylaniline;2,2,2-trifluoroacetic acid?
2,3-dimethylaniline;2,2,2-trifluoroacetic acid has a molecular weight of 235.20 g/mol, XLogP of 2.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylaniline;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171932453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).