N-amino-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide

C5H8F3N3 — CID 139563856

IUPACN-amino-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide
SMILESC=C/N=C(\N(C)N)C(F)(F)F
InChIInChI=1S/C5H8F3N3/c1-3-10-4(11(2)9)5(6,7)8/h3H,1,9H2,2H3/b10-4-
InChIKeyJWERFTVYQAHRHO-WMZJFQQLSA-N
MW167.13 g/mol
LogP0.90
Rot. Bonds1

About N-amino-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide

N-amino-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide (PubChem CID 139563856) has the molecular formula C5H8F3N3 and a molecular weight of 167.13 g/mol. Its IUPAC name is N-amino-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide.

Molecular Properties

Compound NameN-amino-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide
PubChem CID139563856
Molecular FormulaC5H8F3N3
Molecular Weight167.13 g/mol
Exact Mass167.07
IUPAC NameN-amino-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide
SMILESC=C/N=C(\N(C)N)C(F)(F)F
InChIInChI=1S/C5H8F3N3/c1-3-10-4(11(2)9)5(6,7)8/h3H,1,9H2,2H3/b10-4-
InChIKeyJWERFTVYQAHRHO-WMZJFQQLSA-N
XLogP0.90
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 50.90
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide?
The IUPAC name of N-amino-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide (CID 139563856) is N-amino-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide.
What is the SMILES notation for N-amino-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide?
The canonical SMILES for N-amino-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide is C=C/N=C(\N(C)N)C(F)(F)F.
What is the InChIKey of N-amino-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide?
The InChIKey is JWERFTVYQAHRHO-WMZJFQQLSA-N. The full InChI is InChI=1S/C5H8F3N3/c1-3-10-4(11(2)9)5(6,7)8/h3H,1,9H2,2H3/b10-4-.
What are the key properties of N-amino-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide?
N-amino-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide has a molecular weight of 167.13 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-ethenyl-2,2,2-trifluoro-N-methylethanimidamide is sourced from PubChem (CID 139563856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).