4-fluoro-2,3,5,6-tetranitroaniline

C6H2FN5O8 — CID 13333990

IUPAC4-fluoro-2,3,5,6-tetranitroaniline
SMILESNc1c([N+](=O)[O-])c([N+](=O)[O-])c(F)c([N+](=O)[O-])c1[N+](=O)[O-]
InChIInChI=1S/C6H2FN5O8/c7-1-3(9(13)14)5(11(17)18)2(8)6(12(19)20)4(1)10(15)16/h8H2
InChIKeyNFAUPMAJFJEMAS-UHFFFAOYSA-N
MW291.11 g/mol
LogP1.04
Rot. Bonds4

About 4-fluoro-2,3,5,6-tetranitroaniline

4-fluoro-2,3,5,6-tetranitroaniline (PubChem CID 13333990) has the molecular formula C6H2FN5O8 and a molecular weight of 291.11 g/mol. Its IUPAC name is 4-fluoro-2,3,5,6-tetranitroaniline.

Molecular Properties

Compound Name4-fluoro-2,3,5,6-tetranitroaniline
PubChem CID13333990
Molecular FormulaC6H2FN5O8
Molecular Weight291.11 g/mol
Exact Mass290.99
IUPAC Name4-fluoro-2,3,5,6-tetranitroaniline
SMILESNc1c([N+](=O)[O-])c([N+](=O)[O-])c(F)c([N+](=O)[O-])c1[N+](=O)[O-]
InChIInChI=1S/C6H2FN5O8/c7-1-3(9(13)14)5(11(17)18)2(8)6(12(19)20)4(1)10(15)16/h8H2
InChIKeyNFAUPMAJFJEMAS-UHFFFAOYSA-N
XLogP1.04
TPSA198.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.11
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,3,5,6-tetranitroaniline?
The IUPAC name of 4-fluoro-2,3,5,6-tetranitroaniline (CID 13333990) is 4-fluoro-2,3,5,6-tetranitroaniline.
What is the SMILES notation for 4-fluoro-2,3,5,6-tetranitroaniline?
The canonical SMILES for 4-fluoro-2,3,5,6-tetranitroaniline is Nc1c([N+](=O)[O-])c([N+](=O)[O-])c(F)c([N+](=O)[O-])c1[N+](=O)[O-].
What is the InChIKey of 4-fluoro-2,3,5,6-tetranitroaniline?
The InChIKey is NFAUPMAJFJEMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2FN5O8/c7-1-3(9(13)14)5(11(17)18)2(8)6(12(19)20)4(1)10(15)16/h8H2.
What are the key properties of 4-fluoro-2,3,5,6-tetranitroaniline?
4-fluoro-2,3,5,6-tetranitroaniline has a molecular weight of 291.11 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,3,5,6-tetranitroaniline is sourced from PubChem (CID 13333990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).