4-[(3-fluorophenoxy)methyl]-2-(trifluoromethyl)aniline

C14H11F4NO — CID 117220300

IUPAC4-[(3-fluorophenoxy)methyl]-2-(trifluoromethyl)aniline
SMILESNc1ccc(COc2cccc(F)c2)cc1C(F)(F)F
InChIInChI=1S/C14H11F4NO/c15-10-2-1-3-11(7-10)20-8-9-4-5-13(19)12(6-9)14(16,17)18/h1-7H,8,19H2
InChIKeyYSVJJZPAOKTURY-UHFFFAOYSA-N
MW285.24 g/mol
LogP4.01
Rot. Bonds3

About 4-[(3-fluorophenoxy)methyl]-2-(trifluoromethyl)aniline

4-[(3-fluorophenoxy)methyl]-2-(trifluoromethyl)aniline (PubChem CID 117220300) has the molecular formula C14H11F4NO and a molecular weight of 285.24 g/mol. Its IUPAC name is 4-[(3-fluorophenoxy)methyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[(3-fluorophenoxy)methyl]-2-(trifluoromethyl)aniline
PubChem CID117220300
Molecular FormulaC14H11F4NO
Molecular Weight285.24 g/mol
Exact Mass285.08
IUPAC Name4-[(3-fluorophenoxy)methyl]-2-(trifluoromethyl)aniline
SMILESNc1ccc(COc2cccc(F)c2)cc1C(F)(F)F
InChIInChI=1S/C14H11F4NO/c15-10-2-1-3-11(7-10)20-8-9-4-5-13(19)12(6-9)14(16,17)18/h1-7H,8,19H2
InChIKeyYSVJJZPAOKTURY-UHFFFAOYSA-N
XLogP4.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[(3-fluorophenoxy)methyl]-2-(trifluoromethyl)aniline with MolForge

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

Launch Full Analysis

Related Compounds

3-[[4-amino-3-(trifluoromethyl)phenyl]methoxy]phenol
CID 117220304
3-[[3-amino-4-(trifluoromethyl)phenyl]methoxy]phenol
CID 117221806
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323
4-[(2-methoxyphenoxy)methyl]-2-(trifluoromethyl)aniline
CID 117220166
4-[(3-fluorophenoxy)methyl]benzene-1,2-diol
CID 117220383
2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene
CID 103041739
4-[(3-fluorophenyl)methoxy]-1-phenyl-2-(trifluoromethyl)benzene
CID 141169657
1-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 90934735
2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene
CID 60628032
1-fluoro-3-[(4-nitrophenyl)methoxy]benzene
CID 22137955
2-chloro-5-[(3-fluorophenyl)methoxy]aniline
CID 39355675
3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyaniline
CID 166073795

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenoxy)methyl]-2-(trifluoromethyl)aniline?
The IUPAC name of 4-[(3-fluorophenoxy)methyl]-2-(trifluoromethyl)aniline (CID 117220300) is 4-[(3-fluorophenoxy)methyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[(3-fluorophenoxy)methyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-[(3-fluorophenoxy)methyl]-2-(trifluoromethyl)aniline is Nc1ccc(COc2cccc(F)c2)cc1C(F)(F)F.
What is the InChIKey of 4-[(3-fluorophenoxy)methyl]-2-(trifluoromethyl)aniline?
The InChIKey is YSVJJZPAOKTURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO/c15-10-2-1-3-11(7-10)20-8-9-4-5-13(19)12(6-9)14(16,17)18/h1-7H,8,19H2.
What are the key properties of 4-[(3-fluorophenoxy)methyl]-2-(trifluoromethyl)aniline?
4-[(3-fluorophenoxy)methyl]-2-(trifluoromethyl)aniline has a molecular weight of 285.24 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenoxy)methyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 117220300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).