1-cyano-2-(2,3,4,5,6-pentafluorophenyl)guanidine

C8H3F5N4 — CID 142010770

IUPAC1-cyano-2-(2,3,4,5,6-pentafluorophenyl)guanidine
SMILESN#CN/C(N)=N\c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H3F5N4/c9-2-3(10)5(12)7(6(13)4(2)11)17-8(15)16-1-14/h(H3,15,16,17)
InChIKeyIENBPQWDYIKMJH-UHFFFAOYSA-N
MW250.13 g/mol
LogP1.40
Rot. Bonds1

About 1-cyano-2-(2,3,4,5,6-pentafluorophenyl)guanidine

1-cyano-2-(2,3,4,5,6-pentafluorophenyl)guanidine (PubChem CID 142010770) has the molecular formula C8H3F5N4 and a molecular weight of 250.13 g/mol. Its IUPAC name is 1-cyano-2-(2,3,4,5,6-pentafluorophenyl)guanidine.

Molecular Properties

Compound Name1-cyano-2-(2,3,4,5,6-pentafluorophenyl)guanidine
PubChem CID142010770
Molecular FormulaC8H3F5N4
Molecular Weight250.13 g/mol
Exact Mass250.03
IUPAC Name1-cyano-2-(2,3,4,5,6-pentafluorophenyl)guanidine
SMILESN#CN/C(N)=N\c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H3F5N4/c9-2-3(10)5(12)7(6(13)4(2)11)17-8(15)16-1-14/h(H3,15,16,17)
InChIKeyIENBPQWDYIKMJH-UHFFFAOYSA-N
XLogP1.40
TPSA74.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'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 1-cyano-2-(2,3,4,5,6-pentafluorophenyl)guanidine?
The IUPAC name of 1-cyano-2-(2,3,4,5,6-pentafluorophenyl)guanidine (CID 142010770) is 1-cyano-2-(2,3,4,5,6-pentafluorophenyl)guanidine.
What is the SMILES notation for 1-cyano-2-(2,3,4,5,6-pentafluorophenyl)guanidine?
The canonical SMILES for 1-cyano-2-(2,3,4,5,6-pentafluorophenyl)guanidine is N#CN/C(N)=N\c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1-cyano-2-(2,3,4,5,6-pentafluorophenyl)guanidine?
The InChIKey is IENBPQWDYIKMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5N4/c9-2-3(10)5(12)7(6(13)4(2)11)17-8(15)16-1-14/h(H3,15,16,17).
What are the key properties of 1-cyano-2-(2,3,4,5,6-pentafluorophenyl)guanidine?
1-cyano-2-(2,3,4,5,6-pentafluorophenyl)guanidine has a molecular weight of 250.13 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-(2,3,4,5,6-pentafluorophenyl)guanidine is sourced from PubChem (CID 142010770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).