3-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]aniline

C14H11F4NO — CID 64768298

IUPAC3-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]aniline
SMILESNc1ccc(COc2cccc(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C14H11F4NO/c15-13-7-11(19)5-4-9(13)8-20-12-3-1-2-10(6-12)14(16,17)18/h1-7H,8,19H2
InChIKeyJEAMUWVDBUMRIU-UHFFFAOYSA-N
MW285.24 g/mol
LogP4.01
Rot. Bonds3

About 3-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]aniline

3-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]aniline (PubChem CID 64768298) has the molecular formula C14H11F4NO and a molecular weight of 285.24 g/mol. Its IUPAC name is 3-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]aniline.

Molecular Properties

Compound Name3-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]aniline
PubChem CID64768298
Molecular FormulaC14H11F4NO
Molecular Weight285.24 g/mol
Exact Mass285.08
IUPAC Name3-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]aniline
SMILESNc1ccc(COc2cccc(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C14H11F4NO/c15-13-7-11(19)5-4-9(13)8-20-12-3-1-2-10(6-12)14(16,17)18/h1-7H,8,19H2
InChIKeyJEAMUWVDBUMRIU-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

4-bromo-2-fluoro-1-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 60628071
3-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]aniline
CID 69123824
2-[[3-(trifluoromethyl)phenoxy]methyl]phenol
CID 117221120
3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline
CID 43366096
3-fluoro-4-(naphthalen-2-yloxymethyl)aniline
CID 64767706
2-[(3-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117221115
2-[3-[(2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 146264019
4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine
CID 117216211
1-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 90934735
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323
5-amino-2-[(3-fluorophenoxy)methyl]phenol
CID 117219630
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]aniline?
The IUPAC name of 3-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]aniline (CID 64768298) is 3-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]aniline.
What is the SMILES notation for 3-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]aniline?
The canonical SMILES for 3-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]aniline is Nc1ccc(COc2cccc(C(F)(F)F)c2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]aniline?
The InChIKey is JEAMUWVDBUMRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO/c15-13-7-11(19)5-4-9(13)8-20-12-3-1-2-10(6-12)14(16,17)18/h1-7H,8,19H2.
What are the key properties of 3-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]aniline?
3-fluoro-4-[[3-(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 3-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]aniline is sourced from PubChem (CID 64768298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).