4-[2-chloro-5-(trifluoromethyl)phenoxy]-2-fluoroaniline

C13H8ClF4NO — CID 2801250

IUPAC4-[2-chloro-5-(trifluoromethyl)phenoxy]-2-fluoroaniline
SMILESNc1ccc(Oc2cc(C(F)(F)F)ccc2Cl)cc1F
InChIInChI=1S/C13H8ClF4NO/c14-9-3-1-7(13(16,17)18)5-12(9)20-8-2-4-11(19)10(15)6-8/h1-6H,19H2
InChIKeyVVWLENLWPZPQGB-UHFFFAOYSA-N
MW305.66 g/mol
LogP4.87
Rot. Bonds2

About 4-[2-chloro-5-(trifluoromethyl)phenoxy]-2-fluoroaniline

4-[2-chloro-5-(trifluoromethyl)phenoxy]-2-fluoroaniline (PubChem CID 2801250) has the molecular formula C13H8ClF4NO and a molecular weight of 305.66 g/mol. Its IUPAC name is 4-[2-chloro-5-(trifluoromethyl)phenoxy]-2-fluoroaniline.

Molecular Properties

Compound Name4-[2-chloro-5-(trifluoromethyl)phenoxy]-2-fluoroaniline
PubChem CID2801250
Molecular FormulaC13H8ClF4NO
Molecular Weight305.66 g/mol
Exact Mass305.02
IUPAC Name4-[2-chloro-5-(trifluoromethyl)phenoxy]-2-fluoroaniline
SMILESNc1ccc(Oc2cc(C(F)(F)F)ccc2Cl)cc1F
InChIInChI=1S/C13H8ClF4NO/c14-9-3-1-7(13(16,17)18)5-12(9)20-8-2-4-11(19)10(15)6-8/h1-6H,19H2
InChIKeyVVWLENLWPZPQGB-UHFFFAOYSA-N
XLogP4.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.66
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-5-(trifluoromethyl)phenoxy]-2-fluoroaniline?
The IUPAC name of 4-[2-chloro-5-(trifluoromethyl)phenoxy]-2-fluoroaniline (CID 2801250) is 4-[2-chloro-5-(trifluoromethyl)phenoxy]-2-fluoroaniline.
What is the SMILES notation for 4-[2-chloro-5-(trifluoromethyl)phenoxy]-2-fluoroaniline?
The canonical SMILES for 4-[2-chloro-5-(trifluoromethyl)phenoxy]-2-fluoroaniline is Nc1ccc(Oc2cc(C(F)(F)F)ccc2Cl)cc1F.
What is the InChIKey of 4-[2-chloro-5-(trifluoromethyl)phenoxy]-2-fluoroaniline?
The InChIKey is VVWLENLWPZPQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF4NO/c14-9-3-1-7(13(16,17)18)5-12(9)20-8-2-4-11(19)10(15)6-8/h1-6H,19H2.
What are the key properties of 4-[2-chloro-5-(trifluoromethyl)phenoxy]-2-fluoroaniline?
4-[2-chloro-5-(trifluoromethyl)phenoxy]-2-fluoroaniline has a molecular weight of 305.66 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-5-(trifluoromethyl)phenoxy]-2-fluoroaniline is sourced from PubChem (CID 2801250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).