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

C9H10F3N — CID 54121847

IUPAC2,5-dimethyl-4-(trifluoromethyl)aniline
SMILESCc1cc(C(F)(F)F)c(C)cc1N
InChIInChI=1S/C9H10F3N/c1-5-4-8(13)6(2)3-7(5)9(10,11)12/h3-4H,13H2,1-2H3
InChIKeyNOGNISOJMVHNAI-UHFFFAOYSA-N
MW189.18 g/mol
LogP2.90
Rot. Bonds

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

2,5-dimethyl-4-(trifluoromethyl)aniline (PubChem CID 54121847) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is 2,5-dimethyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2,5-dimethyl-4-(trifluoromethyl)aniline
PubChem CID54121847
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name2,5-dimethyl-4-(trifluoromethyl)aniline
SMILESCc1cc(C(F)(F)F)c(C)cc1N
InChIInChI=1S/C9H10F3N/c1-5-4-8(13)6(2)3-7(5)9(10,11)12/h3-4H,13H2,1-2H3
InChIKeyNOGNISOJMVHNAI-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 2,5-dimethyl-4-(trifluoromethyl)aniline?
The IUPAC name of 2,5-dimethyl-4-(trifluoromethyl)aniline (CID 54121847) is 2,5-dimethyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2,5-dimethyl-4-(trifluoromethyl)aniline?
The canonical SMILES for 2,5-dimethyl-4-(trifluoromethyl)aniline is Cc1cc(C(F)(F)F)c(C)cc1N.
What is the InChIKey of 2,5-dimethyl-4-(trifluoromethyl)aniline?
The InChIKey is NOGNISOJMVHNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/c1-5-4-8(13)6(2)3-7(5)9(10,11)12/h3-4H,13H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-(trifluoromethyl)aniline?
2,5-dimethyl-4-(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 2,5-dimethyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 54121847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).