4-pyrazin-2-yloxy-2-(trifluoromethyl)aniline

C11H8F3N3O — CID 175080300

IUPAC4-pyrazin-2-yloxy-2-(trifluoromethyl)aniline
SMILESNc1ccc(Oc2cnccn2)cc1C(F)(F)F
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)8-5-7(1-2-9(8)15)18-10-6-16-3-4-17-10/h1-6H,15H2
InChIKeyPXXFINZISCGCND-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.87
Rot. Bonds2

About 4-pyrazin-2-yloxy-2-(trifluoromethyl)aniline

4-pyrazin-2-yloxy-2-(trifluoromethyl)aniline (PubChem CID 175080300) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 4-pyrazin-2-yloxy-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-pyrazin-2-yloxy-2-(trifluoromethyl)aniline
PubChem CID175080300
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name4-pyrazin-2-yloxy-2-(trifluoromethyl)aniline
SMILESNc1ccc(Oc2cnccn2)cc1C(F)(F)F
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)8-5-7(1-2-9(8)15)18-10-6-16-3-4-17-10/h1-6H,15H2
InChIKeyPXXFINZISCGCND-UHFFFAOYSA-N
XLogP2.87
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-pyrazin-2-yloxy-2-(trifluoromethyl)aniline
CID 166174097
4-(3-pyrazin-2-ylpyrazin-2-yl)oxy-2-(trifluoromethyl)aniline
CID 175082309
2-amino-5-pyrazin-2-yloxybenzoic acid
CID 43378405
2-(4-pyrazin-2-yloxyphenoxy)pyrazine
CID 101444877
4-(3-methoxyphenoxy)-2-(trifluoromethyl)aniline
CID 26189930
4-methoxy-2-(trifluoromethyl)aniline
CID 22601721
2-(3-iodophenoxy)pyrazine
CID 60644113
4-(4-methylsulfanylphenoxy)-2-(trifluoromethyl)aniline
CID 63647439
4-(3-bromo-4-fluorophenoxy)-2-(trifluoromethyl)aniline
CID 83232506
6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 102746921
4-(2-bromoethoxy)-2-(trifluoromethyl)aniline
CID 168997372
(1R)-1-(4-pyrazin-2-yloxyphenyl)ethanol
CID 7101331

Frequently Asked Questions

What is the IUPAC name of 4-pyrazin-2-yloxy-2-(trifluoromethyl)aniline?
The IUPAC name of 4-pyrazin-2-yloxy-2-(trifluoromethyl)aniline (CID 175080300) is 4-pyrazin-2-yloxy-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-pyrazin-2-yloxy-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-pyrazin-2-yloxy-2-(trifluoromethyl)aniline is Nc1ccc(Oc2cnccn2)cc1C(F)(F)F.
What is the InChIKey of 4-pyrazin-2-yloxy-2-(trifluoromethyl)aniline?
The InChIKey is PXXFINZISCGCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-11(13,14)8-5-7(1-2-9(8)15)18-10-6-16-3-4-17-10/h1-6H,15H2.
What are the key properties of 4-pyrazin-2-yloxy-2-(trifluoromethyl)aniline?
4-pyrazin-2-yloxy-2-(trifluoromethyl)aniline has a molecular weight of 255.20 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazin-2-yloxy-2-(trifluoromethyl)aniline is sourced from PubChem (CID 175080300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).