N-(1-amino-2,2,2-trifluoroethylidene)-4-bromo-N'-methylbenzenecarboximidamide

C10H9BrF3N3 — CID 162440261

IUPACN-(1-amino-2,2,2-trifluoroethylidene)-4-bromo-N'-methylbenzenecarboximidamide
SMILESC/N=C(/N=C(\N)C(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C10H9BrF3N3/c1-16-8(17-9(15)10(12,13)14)6-2-4-7(11)5-3-6/h2-5H,1H3,(H2,15,16,17)
InChIKeyMVFSNPWIGAKIID-UHFFFAOYSA-N
MW308.10 g/mol
LogP2.74
Rot. Bonds1

About N-(1-amino-2,2,2-trifluoroethylidene)-4-bromo-N'-methylbenzenecarboximidamide

N-(1-amino-2,2,2-trifluoroethylidene)-4-bromo-N'-methylbenzenecarboximidamide (PubChem CID 162440261) has the molecular formula C10H9BrF3N3 and a molecular weight of 308.10 g/mol. Its IUPAC name is N-(1-amino-2,2,2-trifluoroethylidene)-4-bromo-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN-(1-amino-2,2,2-trifluoroethylidene)-4-bromo-N'-methylbenzenecarboximidamide
PubChem CID162440261
Molecular FormulaC10H9BrF3N3
Molecular Weight308.10 g/mol
Exact Mass306.99
IUPAC NameN-(1-amino-2,2,2-trifluoroethylidene)-4-bromo-N'-methylbenzenecarboximidamide
SMILESC/N=C(/N=C(\N)C(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C10H9BrF3N3/c1-16-8(17-9(15)10(12,13)14)6-2-4-7(11)5-3-6/h2-5H,1H3,(H2,15,16,17)
InChIKeyMVFSNPWIGAKIID-UHFFFAOYSA-N
XLogP2.74
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.10
LogP ≤ 52.74
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,2,2-trifluoroethylidene)-4-bromo-N'-methylbenzenecarboximidamide?
The IUPAC name of N-(1-amino-2,2,2-trifluoroethylidene)-4-bromo-N'-methylbenzenecarboximidamide (CID 162440261) is N-(1-amino-2,2,2-trifluoroethylidene)-4-bromo-N'-methylbenzenecarboximidamide.
What is the SMILES notation for N-(1-amino-2,2,2-trifluoroethylidene)-4-bromo-N'-methylbenzenecarboximidamide?
The canonical SMILES for N-(1-amino-2,2,2-trifluoroethylidene)-4-bromo-N'-methylbenzenecarboximidamide is C/N=C(/N=C(\N)C(F)(F)F)c1ccc(Br)cc1.
What is the InChIKey of N-(1-amino-2,2,2-trifluoroethylidene)-4-bromo-N'-methylbenzenecarboximidamide?
The InChIKey is MVFSNPWIGAKIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3N3/c1-16-8(17-9(15)10(12,13)14)6-2-4-7(11)5-3-6/h2-5H,1H3,(H2,15,16,17).
What are the key properties of N-(1-amino-2,2,2-trifluoroethylidene)-4-bromo-N'-methylbenzenecarboximidamide?
N-(1-amino-2,2,2-trifluoroethylidene)-4-bromo-N'-methylbenzenecarboximidamide has a molecular weight of 308.10 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,2,2-trifluoroethylidene)-4-bromo-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 162440261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).