2,3,4,5-tetrafluoro-N-(2,3,5-trifluorophenyl)aniline

C12H4F7N — CID 22348698

IUPAC2,3,4,5-tetrafluoro-N-(2,3,5-trifluorophenyl)aniline
SMILESFc1cc(F)c(F)c(Nc2cc(F)c(F)c(F)c2F)c1
InChIInChI=1S/C12H4F7N/c13-4-1-5(14)9(16)7(2-4)20-8-3-6(15)10(17)12(19)11(8)18/h1-3,20H
InChIKeySSEREQJCBJMONO-UHFFFAOYSA-N
MW295.16 g/mol
LogP4.40
Rot. Bonds2

About 2,3,4,5-tetrafluoro-N-(2,3,5-trifluorophenyl)aniline

2,3,4,5-tetrafluoro-N-(2,3,5-trifluorophenyl)aniline (PubChem CID 22348698) has the molecular formula C12H4F7N and a molecular weight of 295.16 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-N-(2,3,5-trifluorophenyl)aniline.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-N-(2,3,5-trifluorophenyl)aniline
PubChem CID22348698
Molecular FormulaC12H4F7N
Molecular Weight295.16 g/mol
Exact Mass295.02
IUPAC Name2,3,4,5-tetrafluoro-N-(2,3,5-trifluorophenyl)aniline
SMILESFc1cc(F)c(F)c(Nc2cc(F)c(F)c(F)c2F)c1
InChIInChI=1S/C12H4F7N/c13-4-1-5(14)9(16)7(2-4)20-8-3-6(15)10(17)12(19)11(8)18/h1-3,20H
InChIKeySSEREQJCBJMONO-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-N-(2,3,5-trifluorophenyl)aniline?
The IUPAC name of 2,3,4,5-tetrafluoro-N-(2,3,5-trifluorophenyl)aniline (CID 22348698) is 2,3,4,5-tetrafluoro-N-(2,3,5-trifluorophenyl)aniline.
What is the SMILES notation for 2,3,4,5-tetrafluoro-N-(2,3,5-trifluorophenyl)aniline?
The canonical SMILES for 2,3,4,5-tetrafluoro-N-(2,3,5-trifluorophenyl)aniline is Fc1cc(F)c(F)c(Nc2cc(F)c(F)c(F)c2F)c1.
What is the InChIKey of 2,3,4,5-tetrafluoro-N-(2,3,5-trifluorophenyl)aniline?
The InChIKey is SSEREQJCBJMONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4F7N/c13-4-1-5(14)9(16)7(2-4)20-8-3-6(15)10(17)12(19)11(8)18/h1-3,20H.
What are the key properties of 2,3,4,5-tetrafluoro-N-(2,3,5-trifluorophenyl)aniline?
2,3,4,5-tetrafluoro-N-(2,3,5-trifluorophenyl)aniline has a molecular weight of 295.16 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-N-(2,3,5-trifluorophenyl)aniline is sourced from PubChem (CID 22348698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).