2-methoxy-N-(2,2,2-trifluoroethyl)aniline

C9H10F3NO — CID 9118382

IUPAC2-methoxy-N-(2,2,2-trifluoroethyl)aniline
SMILESCOc1ccccc1NCC(F)(F)F
InChIInChI=1S/C9H10F3NO/c1-14-8-5-3-2-4-7(8)13-6-9(10,11)12/h2-5,13H,6H2,1H3
InChIKeyUEHTVWWJHJAJEG-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.67
Rot. Bonds3

About 2-methoxy-N-(2,2,2-trifluoroethyl)aniline

2-methoxy-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 9118382) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-methoxy-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name2-methoxy-N-(2,2,2-trifluoroethyl)aniline
PubChem CID9118382
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name2-methoxy-N-(2,2,2-trifluoroethyl)aniline
SMILESCOc1ccccc1NCC(F)(F)F
InChIInChI=1S/C9H10F3NO/c1-14-8-5-3-2-4-7(8)13-6-9(10,11)12/h2-5,13H,6H2,1H3
InChIKeyUEHTVWWJHJAJEG-UHFFFAOYSA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methoxy-N-(2,2,2-trifluoroethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 2-methoxy-N-(2,2,2-trifluoroethyl)aniline (CID 9118382) is 2-methoxy-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 2-methoxy-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 2-methoxy-N-(2,2,2-trifluoroethyl)aniline is COc1ccccc1NCC(F)(F)F.
What is the InChIKey of 2-methoxy-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is UEHTVWWJHJAJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-14-8-5-3-2-4-7(8)13-6-9(10,11)12/h2-5,13H,6H2,1H3.
What are the key properties of 2-methoxy-N-(2,2,2-trifluoroethyl)aniline?
2-methoxy-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 205.18 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 9118382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).