2-fluoro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline

C15H13F4NO — CID 63505393

IUPAC2-fluoro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline
SMILESFc1ccccc1NCCOc1ccccc1C(F)(F)F
InChIInChI=1S/C15H13F4NO/c16-12-6-2-3-7-13(12)20-9-10-21-14-8-4-1-5-11(14)15(17,18)19/h1-8,20H,9-10H2
InChIKeyIJVITVMILSAZSR-UHFFFAOYSA-N
MW299.27 g/mol
LogP4.34
Rot. Bonds5

About 2-fluoro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline

2-fluoro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline (PubChem CID 63505393) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is 2-fluoro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline
PubChem CID63505393
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name2-fluoro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline
SMILESFc1ccccc1NCCOc1ccccc1C(F)(F)F
InChIInChI=1S/C15H13F4NO/c16-12-6-2-3-7-13(12)20-9-10-21-14-8-4-1-5-11(14)15(17,18)19/h1-8,20H,9-10H2
InChIKeyIJVITVMILSAZSR-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline
CID 63505392
N-[2-(2,5-dimethylphenoxy)ethyl]-2-fluoroaniline
CID 54798286
3-bromo-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline
CID 63505711
N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propan-1-amine
CID 13344556
N-benzyl-2-[2-(trifluoromethyl)phenoxy]ethanamine
CID 62571624
N-[2-(4-bromo-2,5-dichlorophenoxy)ethyl]-2-fluoroaniline
CID 107661382
N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-(trifluoromethyl)aniline
CID 61492201
N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-fluoroaniline
CID 83141185
N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine
CID 62451818
4-acetyl-2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]benzonitrile
CID 133457809
1-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 25185445
6-bromo-5-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrimidin-4-amine
CID 13075477

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline?
The IUPAC name of 2-fluoro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline (CID 63505393) is 2-fluoro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline.
What is the SMILES notation for 2-fluoro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline?
The canonical SMILES for 2-fluoro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline is Fc1ccccc1NCCOc1ccccc1C(F)(F)F.
What is the InChIKey of 2-fluoro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline?
The InChIKey is IJVITVMILSAZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c16-12-6-2-3-7-13(12)20-9-10-21-14-8-4-1-5-11(14)15(17,18)19/h1-8,20H,9-10H2.
What are the key properties of 2-fluoro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline?
2-fluoro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline has a molecular weight of 299.27 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline is sourced from PubChem (CID 63505393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).