1-(diaminomethylidene)-2-[(3-fluorophenyl)methyl]guanidine

C9H12FN5 — CID 83032501

IUPAC1-(diaminomethylidene)-2-[(3-fluorophenyl)methyl]guanidine
SMILESNC(N)=N/C(N)=N/Cc1cccc(F)c1
InChIInChI=1S/C9H12FN5/c10-7-3-1-2-6(4-7)5-14-9(13)15-8(11)12/h1-4H,5H2,(H6,11,12,13,14,15)
InChIKeyHQKFWCBMCSEECU-UHFFFAOYSA-N
MW209.23 g/mol
LogP-0.09
Rot. Bonds2

About 1-(diaminomethylidene)-2-[(3-fluorophenyl)methyl]guanidine

1-(diaminomethylidene)-2-[(3-fluorophenyl)methyl]guanidine (PubChem CID 83032501) has the molecular formula C9H12FN5 and a molecular weight of 209.23 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[(3-fluorophenyl)methyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[(3-fluorophenyl)methyl]guanidine
PubChem CID83032501
Molecular FormulaC9H12FN5
Molecular Weight209.23 g/mol
Exact Mass209.11
IUPAC Name1-(diaminomethylidene)-2-[(3-fluorophenyl)methyl]guanidine
SMILESNC(N)=N/C(N)=N/Cc1cccc(F)c1
InChIInChI=1S/C9H12FN5/c10-7-3-1-2-6(4-7)5-14-9(13)15-8(11)12/h1-4H,5H2,(H6,11,12,13,14,15)
InChIKeyHQKFWCBMCSEECU-UHFFFAOYSA-N
XLogP-0.09
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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 1-(diaminomethylidene)-2-[(3-fluorophenyl)methyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[(3-fluorophenyl)methyl]guanidine (CID 83032501) is 1-(diaminomethylidene)-2-[(3-fluorophenyl)methyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[(3-fluorophenyl)methyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[(3-fluorophenyl)methyl]guanidine is NC(N)=N/C(N)=N/Cc1cccc(F)c1.
What is the InChIKey of 1-(diaminomethylidene)-2-[(3-fluorophenyl)methyl]guanidine?
The InChIKey is HQKFWCBMCSEECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN5/c10-7-3-1-2-6(4-7)5-14-9(13)15-8(11)12/h1-4H,5H2,(H6,11,12,13,14,15).
What are the key properties of 1-(diaminomethylidene)-2-[(3-fluorophenyl)methyl]guanidine?
1-(diaminomethylidene)-2-[(3-fluorophenyl)methyl]guanidine has a molecular weight of 209.23 g/mol, XLogP of -0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[(3-fluorophenyl)methyl]guanidine is sourced from PubChem (CID 83032501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).