3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)aniline

C11H10F7NO2 — CID 629404

IUPAC3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)aniline
SMILESNc1cc(OCC(F)(F)F)cc(OCC(F)(F)C(F)F)c1
InChIInChI=1S/C11H10F7NO2/c12-9(13)10(14,15)4-20-7-1-6(19)2-8(3-7)21-5-11(16,17)18/h1-3,9H,4-5,19H2
InChIKeyTUKYJTMQOYQFKL-UHFFFAOYSA-N
MW321.19 g/mol
LogP3.49
Rot. Bonds6

About 3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)aniline

3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)aniline (PubChem CID 629404) has the molecular formula C11H10F7NO2 and a molecular weight of 321.19 g/mol. Its IUPAC name is 3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)aniline.

Molecular Properties

Compound Name3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)aniline
PubChem CID629404
Molecular FormulaC11H10F7NO2
Molecular Weight321.19 g/mol
Exact Mass321.06
IUPAC Name3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)aniline
SMILESNc1cc(OCC(F)(F)F)cc(OCC(F)(F)C(F)F)c1
InChIInChI=1S/C11H10F7NO2/c12-9(13)10(14,15)4-20-7-1-6(19)2-8(3-7)21-5-11(16,17)18/h1-3,9H,4-5,19H2
InChIKeyTUKYJTMQOYQFKL-UHFFFAOYSA-N
XLogP3.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)aniline?
The IUPAC name of 3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)aniline (CID 629404) is 3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)aniline.
What is the SMILES notation for 3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)aniline?
The canonical SMILES for 3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)aniline is Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)C(F)F)c1.
What is the InChIKey of 3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)aniline?
The InChIKey is TUKYJTMQOYQFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F7NO2/c12-9(13)10(14,15)4-20-7-1-6(19)2-8(3-7)21-5-11(16,17)18/h1-3,9H,4-5,19H2.
What are the key properties of 3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)aniline?
3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)aniline has a molecular weight of 321.19 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)aniline is sourced from PubChem (CID 629404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).