2,3,5,6-tetrafluoroaniline

C6H3F4N — CID 12786

IUPAC2,3,5,6-tetrafluoroaniline
SMILESNc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C6H3F4N/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,11H2
InChIKeySPSWJTZNOXMMMV-UHFFFAOYSA-N
MW165.09 g/mol
LogP1.83
Rot. Bonds

About 2,3,5,6-tetrafluoroaniline

2,3,5,6-tetrafluoroaniline (PubChem CID 12786) has the molecular formula C6H3F4N and a molecular weight of 165.09 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoroaniline.

Molecular Properties

Compound Name2,3,5,6-tetrafluoroaniline
PubChem CID12786
Molecular FormulaC6H3F4N
Molecular Weight165.09 g/mol
Exact Mass165.02
IUPAC Name2,3,5,6-tetrafluoroaniline
SMILESNc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C6H3F4N/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,11H2
InChIKeySPSWJTZNOXMMMV-UHFFFAOYSA-N
XLogP1.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.09
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoroaniline?
The IUPAC name of 2,3,5,6-tetrafluoroaniline (CID 12786) is 2,3,5,6-tetrafluoroaniline.
What is the SMILES notation for 2,3,5,6-tetrafluoroaniline?
The canonical SMILES for 2,3,5,6-tetrafluoroaniline is Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoroaniline?
The InChIKey is SPSWJTZNOXMMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4N/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,11H2.
What are the key properties of 2,3,5,6-tetrafluoroaniline?
2,3,5,6-tetrafluoroaniline has a molecular weight of 165.09 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoroaniline is sourced from PubChem (CID 12786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).