2,4,5-trimethyl-3-(trifluoromethyl)aniline

C10H12F3N — CID 175281505

IUPAC2,4,5-trimethyl-3-(trifluoromethyl)aniline
SMILESCc1cc(N)c(C)c(C(F)(F)F)c1C
InChIInChI=1S/C10H12F3N/c1-5-4-8(14)7(3)9(6(5)2)10(11,12)13/h4H,14H2,1-3H3
InChIKeyJKTYSJWFIWWFPM-UHFFFAOYSA-N
MW203.21 g/mol
LogP3.21
Rot. Bonds

About 2,4,5-trimethyl-3-(trifluoromethyl)aniline

2,4,5-trimethyl-3-(trifluoromethyl)aniline (PubChem CID 175281505) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 2,4,5-trimethyl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2,4,5-trimethyl-3-(trifluoromethyl)aniline
PubChem CID175281505
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name2,4,5-trimethyl-3-(trifluoromethyl)aniline
SMILESCc1cc(N)c(C)c(C(F)(F)F)c1C
InChIInChI=1S/C10H12F3N/c1-5-4-8(14)7(3)9(6(5)2)10(11,12)13/h4H,14H2,1-3H3
InChIKeyJKTYSJWFIWWFPM-UHFFFAOYSA-N
XLogP3.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 53.21
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 2,4,5-trimethyl-3-(trifluoromethyl)aniline?
The IUPAC name of 2,4,5-trimethyl-3-(trifluoromethyl)aniline (CID 175281505) is 2,4,5-trimethyl-3-(trifluoromethyl)aniline.
What is the SMILES notation for 2,4,5-trimethyl-3-(trifluoromethyl)aniline?
The canonical SMILES for 2,4,5-trimethyl-3-(trifluoromethyl)aniline is Cc1cc(N)c(C)c(C(F)(F)F)c1C.
What is the InChIKey of 2,4,5-trimethyl-3-(trifluoromethyl)aniline?
The InChIKey is JKTYSJWFIWWFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-5-4-8(14)7(3)9(6(5)2)10(11,12)13/h4H,14H2,1-3H3.
What are the key properties of 2,4,5-trimethyl-3-(trifluoromethyl)aniline?
2,4,5-trimethyl-3-(trifluoromethyl)aniline has a molecular weight of 203.21 g/mol, XLogP of 3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 175281505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).