4-fluoro-2-[[2-(trifluoromethyl)phenoxy]methyl]aniline

C14H11F4NO — CID 43443841

IUPAC4-fluoro-2-[[2-(trifluoromethyl)phenoxy]methyl]aniline
SMILESNc1ccc(F)cc1COc1ccccc1C(F)(F)F
InChIInChI=1S/C14H11F4NO/c15-10-5-6-12(19)9(7-10)8-20-13-4-2-1-3-11(13)14(16,17)18/h1-7H,8,19H2
InChIKeyZEJHYLNKMYYIIE-UHFFFAOYSA-N
MW285.24 g/mol
LogP4.01
Rot. Bonds3

About 4-fluoro-2-[[2-(trifluoromethyl)phenoxy]methyl]aniline

4-fluoro-2-[[2-(trifluoromethyl)phenoxy]methyl]aniline (PubChem CID 43443841) has the molecular formula C14H11F4NO and a molecular weight of 285.24 g/mol. Its IUPAC name is 4-fluoro-2-[[2-(trifluoromethyl)phenoxy]methyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-[[2-(trifluoromethyl)phenoxy]methyl]aniline
PubChem CID43443841
Molecular FormulaC14H11F4NO
Molecular Weight285.24 g/mol
Exact Mass285.08
IUPAC Name4-fluoro-2-[[2-(trifluoromethyl)phenoxy]methyl]aniline
SMILESNc1ccc(F)cc1COc1ccccc1C(F)(F)F
InChIInChI=1S/C14H11F4NO/c15-10-5-6-12(19)9(7-10)8-20-13-4-2-1-3-11(13)14(16,17)18/h1-7H,8,19H2
InChIKeyZEJHYLNKMYYIIE-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'}

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Related Compounds

2-[(2-amino-5-fluorophenyl)methoxy]benzamide
CID 43443894
2-[(2-tert-butylphenoxy)methyl]-5-fluoroaniline
CID 64768828
1,4-dibromo-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]benzene
CID 86588170
2-chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]aniline
CID 117220190
3-fluoro-4-[[2-(trifluoromethyl)phenoxy]methyl]phenol
CID 117219491
2-[(2-tert-butylphenoxy)methyl]-4-chloroaniline
CID 79582500
2-[(3,5-difluorophenoxy)methyl]-4-fluoroaniline
CID 62786342
4-[(2-bromo-5-fluorophenyl)methoxy]-3-(trifluoromethyl)aniline
CID 63404713
2-[(2-tert-butylphenoxy)methyl]-1,4-difluorobenzene
CID 64765519
5-methyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenol
CID 117221012
[5-methyl-4-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine
CID 62450904
[5-fluoro-2-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methyl-triphenylphosphanium bromide
CID 87367655

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[2-(trifluoromethyl)phenoxy]methyl]aniline?
The IUPAC name of 4-fluoro-2-[[2-(trifluoromethyl)phenoxy]methyl]aniline (CID 43443841) is 4-fluoro-2-[[2-(trifluoromethyl)phenoxy]methyl]aniline.
What is the SMILES notation for 4-fluoro-2-[[2-(trifluoromethyl)phenoxy]methyl]aniline?
The canonical SMILES for 4-fluoro-2-[[2-(trifluoromethyl)phenoxy]methyl]aniline is Nc1ccc(F)cc1COc1ccccc1C(F)(F)F.
What is the InChIKey of 4-fluoro-2-[[2-(trifluoromethyl)phenoxy]methyl]aniline?
The InChIKey is ZEJHYLNKMYYIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO/c15-10-5-6-12(19)9(7-10)8-20-13-4-2-1-3-11(13)14(16,17)18/h1-7H,8,19H2.
What are the key properties of 4-fluoro-2-[[2-(trifluoromethyl)phenoxy]methyl]aniline?
4-fluoro-2-[[2-(trifluoromethyl)phenoxy]methyl]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-fluoro-2-[[2-(trifluoromethyl)phenoxy]methyl]aniline is sourced from PubChem (CID 43443841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).