4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline

C11H8F3N3O — CID 51063682

IUPAC4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline
SMILESNc1ccc(Oc2nccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)9-5-6-16-10(17-9)18-8-3-1-7(15)2-4-8/h1-6H,15H2
InChIKeyZQRVRZOKYHSJDM-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.87
Rot. Bonds2

About 4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline

4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline (PubChem CID 51063682) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline
PubChem CID51063682
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline
SMILESNc1ccc(Oc2nccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)9-5-6-16-10(17-9)18-8-3-1-7(15)2-4-8/h1-6H,15H2
InChIKeyZQRVRZOKYHSJDM-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline?
The IUPAC name of 4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline (CID 51063682) is 4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline.
What is the SMILES notation for 4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline?
The canonical SMILES for 4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline is Nc1ccc(Oc2nccc(C(F)(F)F)n2)cc1.
What is the InChIKey of 4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline?
The InChIKey is ZQRVRZOKYHSJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-11(13,14)9-5-6-16-10(17-9)18-8-3-1-7(15)2-4-8/h1-6H,15H2.
What are the key properties of 4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline?
4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline 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-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline is sourced from PubChem (CID 51063682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).