4,5-dimethyl-2-(trifluoromethyl)aniline

C9H10F3N — CID 18997315

IUPAC4,5-dimethyl-2-(trifluoromethyl)aniline
SMILESCc1cc(N)c(C(F)(F)F)cc1C
InChIInChI=1S/C9H10F3N/c1-5-3-7(9(10,11)12)8(13)4-6(5)2/h3-4H,13H2,1-2H3
InChIKeyVBEATAVKGVCLFP-UHFFFAOYSA-N
MW189.18 g/mol
LogP2.90
Rot. Bonds

About 4,5-dimethyl-2-(trifluoromethyl)aniline

4,5-dimethyl-2-(trifluoromethyl)aniline (PubChem CID 18997315) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is 4,5-dimethyl-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4,5-dimethyl-2-(trifluoromethyl)aniline
PubChem CID18997315
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name4,5-dimethyl-2-(trifluoromethyl)aniline
SMILESCc1cc(N)c(C(F)(F)F)cc1C
InChIInChI=1S/C9H10F3N/c1-5-3-7(9(10,11)12)8(13)4-6(5)2/h3-4H,13H2,1-2H3
InChIKeyVBEATAVKGVCLFP-UHFFFAOYSA-N
XLogP2.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 52.90
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 4,5-dimethyl-2-(trifluoromethyl)aniline?
The IUPAC name of 4,5-dimethyl-2-(trifluoromethyl)aniline (CID 18997315) is 4,5-dimethyl-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4,5-dimethyl-2-(trifluoromethyl)aniline?
The canonical SMILES for 4,5-dimethyl-2-(trifluoromethyl)aniline is Cc1cc(N)c(C(F)(F)F)cc1C.
What is the InChIKey of 4,5-dimethyl-2-(trifluoromethyl)aniline?
The InChIKey is VBEATAVKGVCLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/c1-5-3-7(9(10,11)12)8(13)4-6(5)2/h3-4H,13H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-(trifluoromethyl)aniline?
4,5-dimethyl-2-(trifluoromethyl)aniline has a molecular weight of 189.18 g/mol, XLogP of 2.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(trifluoromethyl)aniline is sourced from PubChem (CID 18997315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).