2-[3-(cyanomethyl)-5-fluorophenyl]-1-(diaminomethylidene)guanidine

C10H11FN6 — CID 168605529

IUPAC2-[3-(cyanomethyl)-5-fluorophenyl]-1-(diaminomethylidene)guanidine
SMILESN#CCc1cc(F)cc(/N=C(\N)N=C(N)N)c1
InChIInChI=1S/C10H11FN6/c11-7-3-6(1-2-12)4-8(5-7)16-10(15)17-9(13)14/h3-5H,1H2,(H6,13,14,15,16,17)
InChIKeyGGYAMRAMPSQICE-UHFFFAOYSA-N
MW234.24 g/mol
LogP0.11
Rot. Bonds2

About 2-[3-(cyanomethyl)-5-fluorophenyl]-1-(diaminomethylidene)guanidine

2-[3-(cyanomethyl)-5-fluorophenyl]-1-(diaminomethylidene)guanidine (PubChem CID 168605529) has the molecular formula C10H11FN6 and a molecular weight of 234.24 g/mol. Its IUPAC name is 2-[3-(cyanomethyl)-5-fluorophenyl]-1-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name2-[3-(cyanomethyl)-5-fluorophenyl]-1-(diaminomethylidene)guanidine
PubChem CID168605529
Molecular FormulaC10H11FN6
Molecular Weight234.24 g/mol
Exact Mass234.10
IUPAC Name2-[3-(cyanomethyl)-5-fluorophenyl]-1-(diaminomethylidene)guanidine
SMILESN#CCc1cc(F)cc(/N=C(\N)N=C(N)N)c1
InChIInChI=1S/C10H11FN6/c11-7-3-6(1-2-12)4-8(5-7)16-10(15)17-9(13)14/h3-5H,1H2,(H6,13,14,15,16,17)
InChIKeyGGYAMRAMPSQICE-UHFFFAOYSA-N
XLogP0.11
TPSA126.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 50.11
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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Related Compounds

2-(3-ethyl-5-fluorophenyl)acetonitrile
CID 84764635
2-[3-(cyanomethoxy)phenyl]-1-(diaminomethylidene)guanidine
CID 168604167
2-[[3-(cyanomethyl)-5-fluorophenyl]hydrazinylidene]propanedinitrile
CID 169341507
2-(3-fluoro-5-propan-2-ylphenyl)acetonitrile
CID 84767390
bis(1-(diaminomethylidene)-2-(3,5-dimethylphenyl)guanidine);ethene
CID 70011806
1-(diaminomethylidene)-2-(3-fluoroquinolin-7-yl)guanidine
CID 168603731
1-(diaminomethylidene)-2-(3,5-dimethoxyphenyl)guanidine
CID 2730282
2-[4-(2-cyanoethylsulfonyl)phenyl]-1-(diaminomethylidene)guanidine
CID 168604389
2-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]acetic acid
CID 168601741
2-(3,5-difluorophenyl)acetonitrile;1-(3,5-difluorophenyl)cyclopropane-1-carbonitrile
CID 161146367
1-(diaminomethylidene)-2-(2,4,5-trifluorophenyl)guanidine
CID 168600515
2-(5-fluoro-3-pyridinyl)acetonitrile
CID 53403707

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyanomethyl)-5-fluorophenyl]-1-(diaminomethylidene)guanidine?
The IUPAC name of 2-[3-(cyanomethyl)-5-fluorophenyl]-1-(diaminomethylidene)guanidine (CID 168605529) is 2-[3-(cyanomethyl)-5-fluorophenyl]-1-(diaminomethylidene)guanidine.
What is the SMILES notation for 2-[3-(cyanomethyl)-5-fluorophenyl]-1-(diaminomethylidene)guanidine?
The canonical SMILES for 2-[3-(cyanomethyl)-5-fluorophenyl]-1-(diaminomethylidene)guanidine is N#CCc1cc(F)cc(/N=C(\N)N=C(N)N)c1.
What is the InChIKey of 2-[3-(cyanomethyl)-5-fluorophenyl]-1-(diaminomethylidene)guanidine?
The InChIKey is GGYAMRAMPSQICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN6/c11-7-3-6(1-2-12)4-8(5-7)16-10(15)17-9(13)14/h3-5H,1H2,(H6,13,14,15,16,17).
What are the key properties of 2-[3-(cyanomethyl)-5-fluorophenyl]-1-(diaminomethylidene)guanidine?
2-[3-(cyanomethyl)-5-fluorophenyl]-1-(diaminomethylidene)guanidine has a molecular weight of 234.24 g/mol, XLogP of 0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyanomethyl)-5-fluorophenyl]-1-(diaminomethylidene)guanidine is sourced from PubChem (CID 168605529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).