2-[(2-fluorophenyl)methoxy]-5-(trifluoromethyl)aniline

C14H11F4NO — CID 63933444

IUPAC2-[(2-fluorophenyl)methoxy]-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1OCc1ccccc1F
InChIInChI=1S/C14H11F4NO/c15-11-4-2-1-3-9(11)8-20-13-6-5-10(7-12(13)19)14(16,17)18/h1-7H,8,19H2
InChIKeyLTBLKMRHNUMZEF-UHFFFAOYSA-N
MW285.24 g/mol
LogP4.01
Rot. Bonds3

About 2-[(2-fluorophenyl)methoxy]-5-(trifluoromethyl)aniline

2-[(2-fluorophenyl)methoxy]-5-(trifluoromethyl)aniline (PubChem CID 63933444) has the molecular formula C14H11F4NO and a molecular weight of 285.24 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methoxy]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methoxy]-5-(trifluoromethyl)aniline
PubChem CID63933444
Molecular FormulaC14H11F4NO
Molecular Weight285.24 g/mol
Exact Mass285.08
IUPAC Name2-[(2-fluorophenyl)methoxy]-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1OCc1ccccc1F
InChIInChI=1S/C14H11F4NO/c15-11-4-2-1-3-9(11)8-20-13-6-5-10(7-12(13)19)14(16,17)18/h1-7H,8,19H2
InChIKeyLTBLKMRHNUMZEF-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-methoxyphenyl)methoxy]-5-(trifluoromethyl)aniline
CID 19627063
4-[(2-fluorophenyl)methoxy]benzene-1,3-diamine
CID 142729124
2-[(2-fluorophenyl)methoxy]-5-methylaniline
CID 39247930
2-(1,3-thiazol-2-ylmethoxy)-5-(trifluoromethyl)aniline
CID 82007498
4-(bromomethyl)-1-[(2-fluorophenyl)methoxy]-2-(trifluoromethyl)benzene
CID 63534904
2-[(1-ethyl-5-methylpyrazol-4-yl)methoxy]-5-(trifluoromethyl)aniline
CID 19627049
4-[(2-fluorophenyl)methoxy]-3-methoxyaniline
CID 62109774
5-(trifluoromethyl)-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19627067
2-[(2,4-difluorophenyl)methoxy]-5-fluoroaniline
CID 62368347
2-[(5-bromo-2-pyridinyl)methoxy]-5-(trifluoromethyl)aniline
CID 104795950
2-[[2-[(2-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylate
CID 140527335
3-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]aniline
CID 69123824

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methoxy]-5-(trifluoromethyl)aniline?
The IUPAC name of 2-[(2-fluorophenyl)methoxy]-5-(trifluoromethyl)aniline (CID 63933444) is 2-[(2-fluorophenyl)methoxy]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-[(2-fluorophenyl)methoxy]-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-[(2-fluorophenyl)methoxy]-5-(trifluoromethyl)aniline is Nc1cc(C(F)(F)F)ccc1OCc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methoxy]-5-(trifluoromethyl)aniline?
The InChIKey is LTBLKMRHNUMZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO/c15-11-4-2-1-3-9(11)8-20-13-6-5-10(7-12(13)19)14(16,17)18/h1-7H,8,19H2.
What are the key properties of 2-[(2-fluorophenyl)methoxy]-5-(trifluoromethyl)aniline?
2-[(2-fluorophenyl)methoxy]-5-(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 2-[(2-fluorophenyl)methoxy]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 63933444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).