1,2-bis[(2-fluorophenyl)methylideneamino]guanidine

C15H13F2N5 — CID 5114964

IUPAC1,2-bis[(2-fluorophenyl)methylideneamino]guanidine
SMILESNC(=NN=Cc1ccccc1F)NN=Cc1ccccc1F
InChIInChI=1S/C15H13F2N5/c16-13-7-3-1-5-11(13)9-19-21-15(18)22-20-10-12-6-2-4-8-14(12)17/h1-10H,(H3,18,21,22)
InChIKeyMQCNYQOOJVMJDK-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.24
Rot. Bonds4

About 1,2-bis[(2-fluorophenyl)methylideneamino]guanidine

1,2-bis[(2-fluorophenyl)methylideneamino]guanidine (PubChem CID 5114964) has the molecular formula C15H13F2N5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 1,2-bis[(2-fluorophenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name1,2-bis[(2-fluorophenyl)methylideneamino]guanidine
PubChem CID5114964
Molecular FormulaC15H13F2N5
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name1,2-bis[(2-fluorophenyl)methylideneamino]guanidine
SMILESNC(=NN=Cc1ccccc1F)NN=Cc1ccccc1F
InChIInChI=1S/C15H13F2N5/c16-13-7-3-1-5-11(13)9-19-21-15(18)22-20-10-12-6-2-4-8-14(12)17/h1-10H,(H3,18,21,22)
InChIKeyMQCNYQOOJVMJDK-UHFFFAOYSA-N
XLogP2.24
TPSA75.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine
CID 136795111
1,2-bis[(E)-(2-methylphenyl)methylideneamino]guanidine
CID 118931056
1,2-bis[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]guanidine
CID 131998260
1,2-bis[(2-bromophenyl)methylideneamino]guanidine;hydrochloride
CID 140813721
1,2-bis[(E)-(2,3-dihydroxyphenyl)methylideneamino]guanidine
CID 172918115
1,2-bis[(E)-(4-chloro-2-fluorophenyl)methylideneamino]guanidine;hydrochloride
CID 172935906
1,2-bis[(E)-[2-(trifluoromethoxy)phenyl]methylideneamino]guanidine
CID 164928810
1,2-bis[(E)-benzylideneamino]guanidine
CID 98427762
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
1,2-bis[(Z)-1H-indol-3-ylmethylideneamino]guanidine
CID 136742284
1,2-bis[(2,3,4-trihydroxyphenyl)methylideneamino]guanidine
CID 137153596
4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
CID 5333160

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(2-fluorophenyl)methylideneamino]guanidine?
The IUPAC name of 1,2-bis[(2-fluorophenyl)methylideneamino]guanidine (CID 5114964) is 1,2-bis[(2-fluorophenyl)methylideneamino]guanidine.
What is the SMILES notation for 1,2-bis[(2-fluorophenyl)methylideneamino]guanidine?
The canonical SMILES for 1,2-bis[(2-fluorophenyl)methylideneamino]guanidine is NC(=NN=Cc1ccccc1F)NN=Cc1ccccc1F.
What is the InChIKey of 1,2-bis[(2-fluorophenyl)methylideneamino]guanidine?
The InChIKey is MQCNYQOOJVMJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5/c16-13-7-3-1-5-11(13)9-19-21-15(18)22-20-10-12-6-2-4-8-14(12)17/h1-10H,(H3,18,21,22).
What are the key properties of 1,2-bis[(2-fluorophenyl)methylideneamino]guanidine?
1,2-bis[(2-fluorophenyl)methylideneamino]guanidine has a molecular weight of 301.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(2-fluorophenyl)methylideneamino]guanidine is sourced from PubChem (CID 5114964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).