2-[(Z)-2-amino-1-(4-fluorophenyl)ethenyl]guanidine

C9H11FN4 — CID 146258366

IUPAC2-[(Z)-2-amino-1-(4-fluorophenyl)ethenyl]guanidine
SMILESN/C=C(\N=C(N)N)c1ccc(F)cc1
InChIInChI=1S/C9H11FN4/c10-7-3-1-6(2-4-7)8(5-11)14-9(12)13/h1-5H,11H2,(H4,12,13,14)/b8-5-
InChIKeyVPUWKAWDSODMMW-YVMONPNESA-N
MW194.21 g/mol
LogP0.36
Rot. Bonds2

About 2-[(Z)-2-amino-1-(4-fluorophenyl)ethenyl]guanidine

2-[(Z)-2-amino-1-(4-fluorophenyl)ethenyl]guanidine (PubChem CID 146258366) has the molecular formula C9H11FN4 and a molecular weight of 194.21 g/mol. Its IUPAC name is 2-[(Z)-2-amino-1-(4-fluorophenyl)ethenyl]guanidine.

Molecular Properties

Compound Name2-[(Z)-2-amino-1-(4-fluorophenyl)ethenyl]guanidine
PubChem CID146258366
Molecular FormulaC9H11FN4
Molecular Weight194.21 g/mol
Exact Mass194.10
IUPAC Name2-[(Z)-2-amino-1-(4-fluorophenyl)ethenyl]guanidine
SMILESN/C=C(\N=C(N)N)c1ccc(F)cc1
InChIInChI=1S/C9H11FN4/c10-7-3-1-6(2-4-7)8(5-11)14-9(12)13/h1-5H,11H2,(H4,12,13,14)/b8-5-
InChIKeyVPUWKAWDSODMMW-YVMONPNESA-N
XLogP0.36
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 2-[(Z)-2-amino-1-(4-fluorophenyl)ethenyl]guanidine?
The IUPAC name of 2-[(Z)-2-amino-1-(4-fluorophenyl)ethenyl]guanidine (CID 146258366) is 2-[(Z)-2-amino-1-(4-fluorophenyl)ethenyl]guanidine.
What is the SMILES notation for 2-[(Z)-2-amino-1-(4-fluorophenyl)ethenyl]guanidine?
The canonical SMILES for 2-[(Z)-2-amino-1-(4-fluorophenyl)ethenyl]guanidine is N/C=C(\N=C(N)N)c1ccc(F)cc1.
What is the InChIKey of 2-[(Z)-2-amino-1-(4-fluorophenyl)ethenyl]guanidine?
The InChIKey is VPUWKAWDSODMMW-YVMONPNESA-N. The full InChI is InChI=1S/C9H11FN4/c10-7-3-1-6(2-4-7)8(5-11)14-9(12)13/h1-5H,11H2,(H4,12,13,14)/b8-5-.
What are the key properties of 2-[(Z)-2-amino-1-(4-fluorophenyl)ethenyl]guanidine?
2-[(Z)-2-amino-1-(4-fluorophenyl)ethenyl]guanidine has a molecular weight of 194.21 g/mol, XLogP of 0.36, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-amino-1-(4-fluorophenyl)ethenyl]guanidine is sourced from PubChem (CID 146258366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).