N-amino-2,3,4,5,6-pentafluoro-N'-phenylbenzenecarboximidamide

C13H8F5N3 — CID 61361144

IUPACN-amino-2,3,4,5,6-pentafluoro-N'-phenylbenzenecarboximidamide
SMILESNN/C(=N\c1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H8F5N3/c14-8-7(9(15)11(17)12(18)10(8)16)13(21-19)20-6-4-2-1-3-5-6/h1-5H,19H2,(H,20,21)
InChIKeyKCEVDQYLRLDECH-UHFFFAOYSA-N
MW301.22 g/mol
LogP2.92
Rot. Bonds2

About N-amino-2,3,4,5,6-pentafluoro-N'-phenylbenzenecarboximidamide

N-amino-2,3,4,5,6-pentafluoro-N'-phenylbenzenecarboximidamide (PubChem CID 61361144) has the molecular formula C13H8F5N3 and a molecular weight of 301.22 g/mol. Its IUPAC name is N-amino-2,3,4,5,6-pentafluoro-N'-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-2,3,4,5,6-pentafluoro-N'-phenylbenzenecarboximidamide
PubChem CID61361144
Molecular FormulaC13H8F5N3
Molecular Weight301.22 g/mol
Exact Mass301.06
IUPAC NameN-amino-2,3,4,5,6-pentafluoro-N'-phenylbenzenecarboximidamide
SMILESNN/C(=N\c1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H8F5N3/c14-8-7(9(15)11(17)12(18)10(8)16)13(21-19)20-6-4-2-1-3-5-6/h1-5H,19H2,(H,20,21)
InChIKeyKCEVDQYLRLDECH-UHFFFAOYSA-N
XLogP2.92
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-amino-2,3,4,5,6-pentafluoro-N'-phenylbenzenecarboximidamide?
The IUPAC name of N-amino-2,3,4,5,6-pentafluoro-N'-phenylbenzenecarboximidamide (CID 61361144) is N-amino-2,3,4,5,6-pentafluoro-N'-phenylbenzenecarboximidamide.
What is the SMILES notation for N-amino-2,3,4,5,6-pentafluoro-N'-phenylbenzenecarboximidamide?
The canonical SMILES for N-amino-2,3,4,5,6-pentafluoro-N'-phenylbenzenecarboximidamide is NN/C(=N\c1ccccc1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-amino-2,3,4,5,6-pentafluoro-N'-phenylbenzenecarboximidamide?
The InChIKey is KCEVDQYLRLDECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F5N3/c14-8-7(9(15)11(17)12(18)10(8)16)13(21-19)20-6-4-2-1-3-5-6/h1-5H,19H2,(H,20,21).
What are the key properties of N-amino-2,3,4,5,6-pentafluoro-N'-phenylbenzenecarboximidamide?
N-amino-2,3,4,5,6-pentafluoro-N'-phenylbenzenecarboximidamide has a molecular weight of 301.22 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2,3,4,5,6-pentafluoro-N'-phenylbenzenecarboximidamide is sourced from PubChem (CID 61361144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).