N'-(2,3,4,5,6-pentafluorophenyl)butanimidamide

C10H9F5N2 — CID 113336760

IUPACN'-(2,3,4,5,6-pentafluorophenyl)butanimidamide
SMILESCCC/C(N)=N\c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H9F5N2/c1-2-3-4(16)17-10-8(14)6(12)5(11)7(13)9(10)15/h2-3H2,1H3,(H2,16,17)
InChIKeyQXJNDOLISGZUOW-UHFFFAOYSA-N
MW252.19 g/mol
LogP3.17
Rot. Bonds3

About N'-(2,3,4,5,6-pentafluorophenyl)butanimidamide

N'-(2,3,4,5,6-pentafluorophenyl)butanimidamide (PubChem CID 113336760) has the molecular formula C10H9F5N2 and a molecular weight of 252.19 g/mol. Its IUPAC name is N'-(2,3,4,5,6-pentafluorophenyl)butanimidamide.

Molecular Properties

Compound NameN'-(2,3,4,5,6-pentafluorophenyl)butanimidamide
PubChem CID113336760
Molecular FormulaC10H9F5N2
Molecular Weight252.19 g/mol
Exact Mass252.07
IUPAC NameN'-(2,3,4,5,6-pentafluorophenyl)butanimidamide
SMILESCCC/C(N)=N\c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H9F5N2/c1-2-3-4(16)17-10-8(14)6(12)5(11)7(13)9(10)15/h2-3H2,1H3,(H2,16,17)
InChIKeyQXJNDOLISGZUOW-UHFFFAOYSA-N
XLogP3.17
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 53.17
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'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,3,4,5,6-pentafluorophenyl)butanimidamide?
The IUPAC name of N'-(2,3,4,5,6-pentafluorophenyl)butanimidamide (CID 113336760) is N'-(2,3,4,5,6-pentafluorophenyl)butanimidamide.
What is the SMILES notation for N'-(2,3,4,5,6-pentafluorophenyl)butanimidamide?
The canonical SMILES for N'-(2,3,4,5,6-pentafluorophenyl)butanimidamide is CCC/C(N)=N\c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N'-(2,3,4,5,6-pentafluorophenyl)butanimidamide?
The InChIKey is QXJNDOLISGZUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5N2/c1-2-3-4(16)17-10-8(14)6(12)5(11)7(13)9(10)15/h2-3H2,1H3,(H2,16,17).
What are the key properties of N'-(2,3,4,5,6-pentafluorophenyl)butanimidamide?
N'-(2,3,4,5,6-pentafluorophenyl)butanimidamide has a molecular weight of 252.19 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3,4,5,6-pentafluorophenyl)butanimidamide is sourced from PubChem (CID 113336760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).