2,3,4,5,6-pentafluoro-N-naphthalen-1-ylbenzenecarboximidoyl fluoride

C17H7F6N — CID 122233527

IUPAC2,3,4,5,6-pentafluoro-N-naphthalen-1-ylbenzenecarboximidoyl fluoride
SMILESF/C(=N\c1cccc2ccccc12)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H7F6N/c18-12-11(13(19)15(21)16(22)14(12)20)17(23)24-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H/b24-17-
InChIKeyVHEOBPLAORXCTL-ULJHMMPZSA-N
MW339.24 g/mol
LogP5.58
Rot. Bonds2

About 2,3,4,5,6-pentafluoro-N-naphthalen-1-ylbenzenecarboximidoyl fluoride

2,3,4,5,6-pentafluoro-N-naphthalen-1-ylbenzenecarboximidoyl fluoride (PubChem CID 122233527) has the molecular formula C17H7F6N and a molecular weight of 339.24 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-naphthalen-1-ylbenzenecarboximidoyl fluoride.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-naphthalen-1-ylbenzenecarboximidoyl fluoride
PubChem CID122233527
Molecular FormulaC17H7F6N
Molecular Weight339.24 g/mol
Exact Mass339.05
IUPAC Name2,3,4,5,6-pentafluoro-N-naphthalen-1-ylbenzenecarboximidoyl fluoride
SMILESF/C(=N\c1cccc2ccccc12)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H7F6N/c18-12-11(13(19)15(21)16(22)14(12)20)17(23)24-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H/b24-17-
InChIKeyVHEOBPLAORXCTL-ULJHMMPZSA-N
XLogP5.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.24
LogP ≤ 55.58
H-Bond Donors ≤ 50
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'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-naphthalen-1-ylbenzenecarboximidoyl fluoride?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-naphthalen-1-ylbenzenecarboximidoyl fluoride (CID 122233527) is 2,3,4,5,6-pentafluoro-N-naphthalen-1-ylbenzenecarboximidoyl fluoride.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-naphthalen-1-ylbenzenecarboximidoyl fluoride?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-naphthalen-1-ylbenzenecarboximidoyl fluoride is F/C(=N\c1cccc2ccccc12)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-naphthalen-1-ylbenzenecarboximidoyl fluoride?
The InChIKey is VHEOBPLAORXCTL-ULJHMMPZSA-N. The full InChI is InChI=1S/C17H7F6N/c18-12-11(13(19)15(21)16(22)14(12)20)17(23)24-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H/b24-17-.
What are the key properties of 2,3,4,5,6-pentafluoro-N-naphthalen-1-ylbenzenecarboximidoyl fluoride?
2,3,4,5,6-pentafluoro-N-naphthalen-1-ylbenzenecarboximidoyl fluoride has a molecular weight of 339.24 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-naphthalen-1-ylbenzenecarboximidoyl fluoride is sourced from PubChem (CID 122233527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).