3-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]aniline

C14H11F4NO — CID 69123824

IUPAC3-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]aniline
SMILESNc1cccc(OCc2cc(C(F)(F)F)ccc2F)c1
InChIInChI=1S/C14H11F4NO/c15-13-5-4-10(14(16,17)18)6-9(13)8-20-12-3-1-2-11(19)7-12/h1-7H,8,19H2
InChIKeyFXMSUSFDAADKNK-UHFFFAOYSA-N
MW285.24 g/mol
LogP4.01
Rot. Bonds3

About 3-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]aniline

3-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]aniline (PubChem CID 69123824) has the molecular formula C14H11F4NO and a molecular weight of 285.24 g/mol. Its IUPAC name is 3-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]aniline.

Molecular Properties

Compound Name3-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]aniline
PubChem CID69123824
Molecular FormulaC14H11F4NO
Molecular Weight285.24 g/mol
Exact Mass285.08
IUPAC Name3-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]aniline
SMILESNc1cccc(OCc2cc(C(F)(F)F)ccc2F)c1
InChIInChI=1S/C14H11F4NO/c15-13-5-4-10(14(16,17)18)6-9(13)8-20-12-3-1-2-11(19)7-12/h1-7H,8,19H2
InChIKeyFXMSUSFDAADKNK-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

3-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]aniline
CID 64768298
3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline
CID 43366096
2-[(3-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117221115
2-[[3-(trifluoromethyl)phenoxy]methyl]phenol
CID 117221120
4-bromo-2-fluoro-1-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 60628071
2-(phenoxymethyl)-1,4-bis(trifluoromethyl)benzene
CID 141120008
3-bromo-5-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 122476289
2-[3-[(2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 146264019
2-[(2-fluorophenyl)methoxy]-5-(trifluoromethyl)aniline
CID 63933444
[3-[(3-tert-butylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 43169661
4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine
CID 117216211
3-[(2-chlorophenyl)methoxy]aniline
CID 23010255

Frequently Asked Questions

What is the IUPAC name of 3-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]aniline?
The IUPAC name of 3-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]aniline (CID 69123824) is 3-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]aniline.
What is the SMILES notation for 3-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]aniline?
The canonical SMILES for 3-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]aniline is Nc1cccc(OCc2cc(C(F)(F)F)ccc2F)c1.
What is the InChIKey of 3-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]aniline?
The InChIKey is FXMSUSFDAADKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO/c15-13-5-4-10(14(16,17)18)6-9(13)8-20-12-3-1-2-11(19)7-12/h1-7H,8,19H2.
What are the key properties of 3-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]aniline?
3-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]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-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]aniline is sourced from PubChem (CID 69123824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).