N'-amino-2,4-difluorobenzenecarboximidamide;hydroiodide

C7H8F2IN3 — CID 86594416

IUPACN'-amino-2,4-difluorobenzenecarboximidamide;hydroiodide
SMILESI.NN=C(N)c1ccc(F)cc1F
InChIInChI=1S/C7H7F2N3.HI/c8-4-1-2-5(6(9)3-4)7(10)12-11;/h1-3H,11H2,(H2,10,12);1H
InChIKeyZEJIASWDZOMIDS-UHFFFAOYSA-N
MW299.06 g/mol
LogP1.16
Rot. Bonds1

About N'-amino-2,4-difluorobenzenecarboximidamide;hydroiodide

N'-amino-2,4-difluorobenzenecarboximidamide;hydroiodide (PubChem CID 86594416) has the molecular formula C7H8F2IN3 and a molecular weight of 299.06 g/mol. Its IUPAC name is N'-amino-2,4-difluorobenzenecarboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-amino-2,4-difluorobenzenecarboximidamide;hydroiodide
PubChem CID86594416
Molecular FormulaC7H8F2IN3
Molecular Weight299.06 g/mol
Exact Mass298.97
IUPAC NameN'-amino-2,4-difluorobenzenecarboximidamide;hydroiodide
SMILESI.NN=C(N)c1ccc(F)cc1F
InChIInChI=1S/C7H7F2N3.HI/c8-4-1-2-5(6(9)3-4)7(10)12-11;/h1-3H,11H2,(H2,10,12);1H
InChIKeyZEJIASWDZOMIDS-UHFFFAOYSA-N
XLogP1.16
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.06
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-amino-4-bromo-2-fluorobenzenecarboximidamide
CID 61361560
N'-amino-2-bromo-4-fluorobenzenecarboximidamide
CID 61360545
2,4-difluorobenzenecarbothioamide
CID 2781868
2,4-difluorobenzamide;dihydrochloride
CID 22032026
N'-amino-4-chloro-2,5-difluorobenzenecarboximidamide
CID 82771669
2-[1-(2,4-difluorophenyl)ethylideneamino]guanidine
CID 78607456
N'-amino-2-bromo-3,4-difluorobenzenecarboximidamide
CID 107539610
N'-amino-4-fluorobenzenecarboximidamide;hydrochloride
CID 68690299
(1Z)-1-(2,4-difluorophenyl)-1-hydroxyiminopropan-2-one
CID 86591919
carbamoyl 2,4-difluorobenzoate
CID 21202786
N-amino-2,4-difluoro-N'-methylbenzenecarboximidamide
CID 61360850
2,4-difluorobenzoyl bromide
CID 87349807

Frequently Asked Questions

What is the IUPAC name of N'-amino-2,4-difluorobenzenecarboximidamide;hydroiodide?
The IUPAC name of N'-amino-2,4-difluorobenzenecarboximidamide;hydroiodide (CID 86594416) is N'-amino-2,4-difluorobenzenecarboximidamide;hydroiodide.
What is the SMILES notation for N'-amino-2,4-difluorobenzenecarboximidamide;hydroiodide?
The canonical SMILES for N'-amino-2,4-difluorobenzenecarboximidamide;hydroiodide is I.NN=C(N)c1ccc(F)cc1F.
What is the InChIKey of N'-amino-2,4-difluorobenzenecarboximidamide;hydroiodide?
The InChIKey is ZEJIASWDZOMIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3.HI/c8-4-1-2-5(6(9)3-4)7(10)12-11;/h1-3H,11H2,(H2,10,12);1H.
What are the key properties of N'-amino-2,4-difluorobenzenecarboximidamide;hydroiodide?
N'-amino-2,4-difluorobenzenecarboximidamide;hydroiodide has a molecular weight of 299.06 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2,4-difluorobenzenecarboximidamide;hydroiodide is sourced from PubChem (CID 86594416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).