diaminomethylidene-[N'-(3-fluorophenyl)carbamimidoyl]azanium chloride

C8H11ClFN5 — CID 135544958

IUPACdiaminomethylidene-[N'-(3-fluorophenyl)carbamimidoyl]azanium chloride
SMILESNC(N)=[NH+]/C(N)=N/c1cccc(F)c1.[Cl-]
InChIInChI=1S/C8H10FN5.ClH/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11;/h1-4H,(H6,10,11,12,13,14);1H
InChIKeyIWYOYHXLNBELKJ-UHFFFAOYSA-N
MW231.66 g/mol
LogP-4.87
Rot. Bonds1

About diaminomethylidene-[N'-(3-fluorophenyl)carbamimidoyl]azanium chloride

diaminomethylidene-[N'-(3-fluorophenyl)carbamimidoyl]azanium chloride (PubChem CID 135544958) has the molecular formula C8H11ClFN5 and a molecular weight of 231.66 g/mol. Its IUPAC name is diaminomethylidene-[N'-(3-fluorophenyl)carbamimidoyl]azanium chloride.

Molecular Properties

Compound Namediaminomethylidene-[N'-(3-fluorophenyl)carbamimidoyl]azanium chloride
PubChem CID135544958
Molecular FormulaC8H11ClFN5
Molecular Weight231.66 g/mol
Exact Mass231.07
IUPAC Namediaminomethylidene-[N'-(3-fluorophenyl)carbamimidoyl]azanium chloride
SMILESNC(N)=[NH+]/C(N)=N/c1cccc(F)c1.[Cl-]
InChIInChI=1S/C8H10FN5.ClH/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11;/h1-4H,(H6,10,11,12,13,14);1H
InChIKeyIWYOYHXLNBELKJ-UHFFFAOYSA-N
XLogP-4.87
TPSA104.39 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.66
LogP ≤ 5-4.87
H-Bond Donors ≤ 54
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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Related Compounds

2-chloro-N'-(3-fluorophenyl)ethanimidamide
CID 169368865
N'-(3-fluorophenyl)-3-methylbutanimidamide
CID 121219593
[N'-[3,5-bis(trifluoromethyl)phenyl]carbamimidoyl]-(diaminomethylidene)azanium chloride
CID 135410038
1,1-difluoro-N-(3-fluorophenyl)propan-2-imine
CID 130247360
N-(3-fluorophenyl)-1-(4-fluorophenyl)ethanimine
CID 139246224
N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 141426730
1,1-bis(3-fluorophenyl)hydrazine
CID 68971186
1-fluoro-3-(sulfonylamino)benzene
CID 151719875
N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-2-carboximidamide
CID 175292944
1,3-difluorobenzene;methanol
CID 144994633
N'-(4-cyanophenyl)-3-fluorobenzenecarboximidamide
CID 71349171
2-[(3-fluorophenyl)methyl]guanidine
CID 14963573

Frequently Asked Questions

What is the IUPAC name of diaminomethylidene-[N'-(3-fluorophenyl)carbamimidoyl]azanium chloride?
The IUPAC name of diaminomethylidene-[N'-(3-fluorophenyl)carbamimidoyl]azanium chloride (CID 135544958) is diaminomethylidene-[N'-(3-fluorophenyl)carbamimidoyl]azanium chloride.
What is the SMILES notation for diaminomethylidene-[N'-(3-fluorophenyl)carbamimidoyl]azanium chloride?
The canonical SMILES for diaminomethylidene-[N'-(3-fluorophenyl)carbamimidoyl]azanium chloride is NC(N)=[NH+]/C(N)=N/c1cccc(F)c1.[Cl-].
What is the InChIKey of diaminomethylidene-[N'-(3-fluorophenyl)carbamimidoyl]azanium chloride?
The InChIKey is IWYOYHXLNBELKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN5.ClH/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11;/h1-4H,(H6,10,11,12,13,14);1H.
What are the key properties of diaminomethylidene-[N'-(3-fluorophenyl)carbamimidoyl]azanium chloride?
diaminomethylidene-[N'-(3-fluorophenyl)carbamimidoyl]azanium chloride has a molecular weight of 231.66 g/mol, XLogP of -4.87, 1 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylidene-[N'-(3-fluorophenyl)carbamimidoyl]azanium chloride is sourced from PubChem (CID 135544958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).