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

C9H10F3NO2 — CID 2780003

IUPAC2,4-dimethoxy-5-(trifluoromethyl)aniline
SMILESCOc1cc(OC)c(C(F)(F)F)cc1N
InChIInChI=1S/C9H10F3NO2/c1-14-7-4-8(15-2)6(13)3-5(7)9(10,11)12/h3-4H,13H2,1-2H3
InChIKeyRCOAFFRLRHZLJG-UHFFFAOYSA-N
MW221.18 g/mol
LogP2.30
Rot. Bonds2

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

2,4-dimethoxy-5-(trifluoromethyl)aniline (PubChem CID 2780003) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 2,4-dimethoxy-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2,4-dimethoxy-5-(trifluoromethyl)aniline
PubChem CID2780003
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name2,4-dimethoxy-5-(trifluoromethyl)aniline
SMILESCOc1cc(OC)c(C(F)(F)F)cc1N
InChIInChI=1S/C9H10F3NO2/c1-14-7-4-8(15-2)6(13)3-5(7)9(10,11)12/h3-4H,13H2,1-2H3
InChIKeyRCOAFFRLRHZLJG-UHFFFAOYSA-N
XLogP2.30
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-dimethoxy-5-(trifluoromethyl)aniline?
The IUPAC name of 2,4-dimethoxy-5-(trifluoromethyl)aniline (CID 2780003) is 2,4-dimethoxy-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2,4-dimethoxy-5-(trifluoromethyl)aniline?
The canonical SMILES for 2,4-dimethoxy-5-(trifluoromethyl)aniline is COc1cc(OC)c(C(F)(F)F)cc1N.
What is the InChIKey of 2,4-dimethoxy-5-(trifluoromethyl)aniline?
The InChIKey is RCOAFFRLRHZLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-14-7-4-8(15-2)6(13)3-5(7)9(10,11)12/h3-4H,13H2,1-2H3.
What are the key properties of 2,4-dimethoxy-5-(trifluoromethyl)aniline?
2,4-dimethoxy-5-(trifluoromethyl)aniline has a molecular weight of 221.18 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-5-(trifluoromethyl)aniline is sourced from PubChem (CID 2780003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).