4-[(5-fluoro-2-pyridinyl)oxy]-3-(trifluoromethyl)aniline

C12H8F4N2O — CID 61389468

IUPAC4-[(5-fluoro-2-pyridinyl)oxy]-3-(trifluoromethyl)aniline
SMILESNc1ccc(Oc2ccc(F)cn2)c(C(F)(F)F)c1
InChIInChI=1S/C12H8F4N2O/c13-7-1-4-11(18-6-7)19-10-3-2-8(17)5-9(10)12(14,15)16/h1-6H,17H2
InChIKeyXSCMYKUBPXFOLL-UHFFFAOYSA-N
MW272.20 g/mol
LogP3.61
Rot. Bonds2

About 4-[(5-fluoro-2-pyridinyl)oxy]-3-(trifluoromethyl)aniline

4-[(5-fluoro-2-pyridinyl)oxy]-3-(trifluoromethyl)aniline (PubChem CID 61389468) has the molecular formula C12H8F4N2O and a molecular weight of 272.20 g/mol. Its IUPAC name is 4-[(5-fluoro-2-pyridinyl)oxy]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[(5-fluoro-2-pyridinyl)oxy]-3-(trifluoromethyl)aniline
PubChem CID61389468
Molecular FormulaC12H8F4N2O
Molecular Weight272.20 g/mol
Exact Mass272.06
IUPAC Name4-[(5-fluoro-2-pyridinyl)oxy]-3-(trifluoromethyl)aniline
SMILESNc1ccc(Oc2ccc(F)cn2)c(C(F)(F)F)c1
InChIInChI=1S/C12H8F4N2O/c13-7-1-4-11(18-6-7)19-10-3-2-8(17)5-9(10)12(14,15)16/h1-6H,17H2
InChIKeyXSCMYKUBPXFOLL-UHFFFAOYSA-N
XLogP3.61
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-fluoro-2-pyridinyl)oxy]-3-methoxyaniline
CID 55036542
4-[4-amino-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)aniline;hydrochloride
CID 22906581
5-bromo-2-[(5-fluoro-2-pyridinyl)oxy]aniline
CID 65429431
4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]-3-(trifluoromethyl)aniline
CID 54530043
4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline;4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]-3-(trifluoromethyl)aniline
CID 19805070
4-[2-[2-[4-amino-2-(trifluoromethyl)phenoxy]-N-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]anilino]phenoxy]-3-(trifluoromethyl)aniline
CID 90293468
4-[2-[2-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3-(trifluoromethyl)aniline
CID 18793542
4-(2-iodophenoxy)-3-(trifluoromethyl)aniline
CID 55191480
6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 102746921
4-(5-iodopyrimidin-4-yl)oxy-3-(trifluoromethyl)aniline
CID 66342844
4-[(5-bromo-3-methyl-2-pyridinyl)oxy]-3-(trifluoromethyl)aniline
CID 79717904
6-(5-fluoro-2-methylphenoxy)pyridin-3-amine
CID 102980228

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-pyridinyl)oxy]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-[(5-fluoro-2-pyridinyl)oxy]-3-(trifluoromethyl)aniline (CID 61389468) is 4-[(5-fluoro-2-pyridinyl)oxy]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[(5-fluoro-2-pyridinyl)oxy]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-[(5-fluoro-2-pyridinyl)oxy]-3-(trifluoromethyl)aniline is Nc1ccc(Oc2ccc(F)cn2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[(5-fluoro-2-pyridinyl)oxy]-3-(trifluoromethyl)aniline?
The InChIKey is XSCMYKUBPXFOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2O/c13-7-1-4-11(18-6-7)19-10-3-2-8(17)5-9(10)12(14,15)16/h1-6H,17H2.
What are the key properties of 4-[(5-fluoro-2-pyridinyl)oxy]-3-(trifluoromethyl)aniline?
4-[(5-fluoro-2-pyridinyl)oxy]-3-(trifluoromethyl)aniline has a molecular weight of 272.20 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-pyridinyl)oxy]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 61389468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).