N'-amino-2-chloro-6-fluoro-N-methyliminobenzenecarboximidamide

C8H8ClFN4 — CID 71095344

IUPACN'-amino-2-chloro-6-fluoro-N-methyliminobenzenecarboximidamide
SMILESC/N=N/C(=NN)c1c(F)cccc1Cl
InChIInChI=1S/C8H8ClFN4/c1-12-14-8(13-11)7-5(9)3-2-4-6(7)10/h2-4H,11H2,1H3/b13-8?,14-12+
InChIKeyPQLSRILWYLECEC-YIESCYTJSA-N
MW214.63 g/mol
LogP2.18
Rot. Bonds1

About N'-amino-2-chloro-6-fluoro-N-methyliminobenzenecarboximidamide

N'-amino-2-chloro-6-fluoro-N-methyliminobenzenecarboximidamide (PubChem CID 71095344) has the molecular formula C8H8ClFN4 and a molecular weight of 214.63 g/mol. Its IUPAC name is N'-amino-2-chloro-6-fluoro-N-methyliminobenzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-2-chloro-6-fluoro-N-methyliminobenzenecarboximidamide
PubChem CID71095344
Molecular FormulaC8H8ClFN4
Molecular Weight214.63 g/mol
Exact Mass214.04
IUPAC NameN'-amino-2-chloro-6-fluoro-N-methyliminobenzenecarboximidamide
SMILESC/N=N/C(=NN)c1c(F)cccc1Cl
InChIInChI=1S/C8H8ClFN4/c1-12-14-8(13-11)7-5(9)3-2-4-6(7)10/h2-4H,11H2,1H3/b13-8?,14-12+
InChIKeyPQLSRILWYLECEC-YIESCYTJSA-N
XLogP2.18
TPSA63.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.63
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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 N'-amino-2-chloro-6-fluoro-N-methyliminobenzenecarboximidamide?
The IUPAC name of N'-amino-2-chloro-6-fluoro-N-methyliminobenzenecarboximidamide (CID 71095344) is N'-amino-2-chloro-6-fluoro-N-methyliminobenzenecarboximidamide.
What is the SMILES notation for N'-amino-2-chloro-6-fluoro-N-methyliminobenzenecarboximidamide?
The canonical SMILES for N'-amino-2-chloro-6-fluoro-N-methyliminobenzenecarboximidamide is C/N=N/C(=NN)c1c(F)cccc1Cl.
What is the InChIKey of N'-amino-2-chloro-6-fluoro-N-methyliminobenzenecarboximidamide?
The InChIKey is PQLSRILWYLECEC-YIESCYTJSA-N. The full InChI is InChI=1S/C8H8ClFN4/c1-12-14-8(13-11)7-5(9)3-2-4-6(7)10/h2-4H,11H2,1H3/b13-8?,14-12+.
What are the key properties of N'-amino-2-chloro-6-fluoro-N-methyliminobenzenecarboximidamide?
N'-amino-2-chloro-6-fluoro-N-methyliminobenzenecarboximidamide has a molecular weight of 214.63 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-chloro-6-fluoro-N-methyliminobenzenecarboximidamide is sourced from PubChem (CID 71095344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).