3-methoxy-5-(trifluoromethyl)aniline

C8H8F3NO — CID 605671

IUPAC3-methoxy-5-(trifluoromethyl)aniline
SMILESCOc1cc(N)cc(C(F)(F)F)c1
InChIInChI=1S/C8H8F3NO/c1-13-7-3-5(8(9,10)11)2-6(12)4-7/h2-4H,12H2,1H3
InChIKeyVTFGJEYZCUWSAM-UHFFFAOYSA-N
MW191.15 g/mol
LogP2.30
Rot. Bonds1

About 3-methoxy-5-(trifluoromethyl)aniline

3-methoxy-5-(trifluoromethyl)aniline (PubChem CID 605671) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 3-methoxy-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-methoxy-5-(trifluoromethyl)aniline
PubChem CID605671
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name3-methoxy-5-(trifluoromethyl)aniline
SMILESCOc1cc(N)cc(C(F)(F)F)c1
InChIInChI=1S/C8H8F3NO/c1-13-7-3-5(8(9,10)11)2-6(12)4-7/h2-4H,12H2,1H3
InChIKeyVTFGJEYZCUWSAM-UHFFFAOYSA-N
XLogP2.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 52.30
H-Bond Donors ≤ 51
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 3-methoxy-5-(trifluoromethyl)aniline?
The IUPAC name of 3-methoxy-5-(trifluoromethyl)aniline (CID 605671) is 3-methoxy-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-methoxy-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-methoxy-5-(trifluoromethyl)aniline is COc1cc(N)cc(C(F)(F)F)c1.
What is the InChIKey of 3-methoxy-5-(trifluoromethyl)aniline?
The InChIKey is VTFGJEYZCUWSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-13-7-3-5(8(9,10)11)2-6(12)4-7/h2-4H,12H2,1H3.
What are the key properties of 3-methoxy-5-(trifluoromethyl)aniline?
3-methoxy-5-(trifluoromethyl)aniline has a molecular weight of 191.15 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(trifluoromethyl)aniline is sourced from PubChem (CID 605671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).