1-(diaminomethylidene)-2-[(2-fluoro-4-hydroxyphenyl)methyl]guanidine

C9H12FN5O — CID 118466220

IUPAC1-(diaminomethylidene)-2-[(2-fluoro-4-hydroxyphenyl)methyl]guanidine
SMILESNC(N)=N/C(N)=N/Cc1ccc(O)cc1F
InChIInChI=1S/C9H12FN5O/c10-7-3-6(16)2-1-5(7)4-14-9(13)15-8(11)12/h1-3,16H,4H2,(H6,11,12,13,14,15)
InChIKeyRWGBJIVMFGEDDO-UHFFFAOYSA-N
MW225.23 g/mol
LogP-0.38
Rot. Bonds2

About 1-(diaminomethylidene)-2-[(2-fluoro-4-hydroxyphenyl)methyl]guanidine

1-(diaminomethylidene)-2-[(2-fluoro-4-hydroxyphenyl)methyl]guanidine (PubChem CID 118466220) has the molecular formula C9H12FN5O and a molecular weight of 225.23 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[(2-fluoro-4-hydroxyphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[(2-fluoro-4-hydroxyphenyl)methyl]guanidine
PubChem CID118466220
Molecular FormulaC9H12FN5O
Molecular Weight225.23 g/mol
Exact Mass225.10
IUPAC Name1-(diaminomethylidene)-2-[(2-fluoro-4-hydroxyphenyl)methyl]guanidine
SMILESNC(N)=N/C(N)=N/Cc1ccc(O)cc1F
InChIInChI=1S/C9H12FN5O/c10-7-3-6(16)2-1-5(7)4-14-9(13)15-8(11)12/h1-3,16H,4H2,(H6,11,12,13,14,15)
InChIKeyRWGBJIVMFGEDDO-UHFFFAOYSA-N
XLogP-0.38
TPSA123.01 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
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 1-(diaminomethylidene)-2-[(2-fluoro-4-hydroxyphenyl)methyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[(2-fluoro-4-hydroxyphenyl)methyl]guanidine (CID 118466220) is 1-(diaminomethylidene)-2-[(2-fluoro-4-hydroxyphenyl)methyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[(2-fluoro-4-hydroxyphenyl)methyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[(2-fluoro-4-hydroxyphenyl)methyl]guanidine is NC(N)=N/C(N)=N/Cc1ccc(O)cc1F.
What is the InChIKey of 1-(diaminomethylidene)-2-[(2-fluoro-4-hydroxyphenyl)methyl]guanidine?
The InChIKey is RWGBJIVMFGEDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN5O/c10-7-3-6(16)2-1-5(7)4-14-9(13)15-8(11)12/h1-3,16H,4H2,(H6,11,12,13,14,15).
What are the key properties of 1-(diaminomethylidene)-2-[(2-fluoro-4-hydroxyphenyl)methyl]guanidine?
1-(diaminomethylidene)-2-[(2-fluoro-4-hydroxyphenyl)methyl]guanidine has a molecular weight of 225.23 g/mol, XLogP of -0.38, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[(2-fluoro-4-hydroxyphenyl)methyl]guanidine is sourced from PubChem (CID 118466220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).