N,N'-bis(ethenyl)-2,2,2-trifluoro-N-methylethanimidamide

C7H9F3N2 — CID 162594744

IUPACN,N'-bis(ethenyl)-2,2,2-trifluoro-N-methylethanimidamide
SMILESC=C/N=C(\N(C)C=C)C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-4-11-6(7(8,9)10)12(3)5-2/h4-5H,1-2H2,3H3/b11-6-
InChIKeyXXFWIADDXQRHJA-WDZFZDKYSA-N
MW178.16 g/mol
LogP2.17
Rot. Bonds2

About N,N'-bis(ethenyl)-2,2,2-trifluoro-N-methylethanimidamide

N,N'-bis(ethenyl)-2,2,2-trifluoro-N-methylethanimidamide (PubChem CID 162594744) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is N,N'-bis(ethenyl)-2,2,2-trifluoro-N-methylethanimidamide.

Molecular Properties

Compound NameN,N'-bis(ethenyl)-2,2,2-trifluoro-N-methylethanimidamide
PubChem CID162594744
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC NameN,N'-bis(ethenyl)-2,2,2-trifluoro-N-methylethanimidamide
SMILESC=C/N=C(\N(C)C=C)C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-4-11-6(7(8,9)10)12(3)5-2/h4-5H,1-2H2,3H3/b11-6-
InChIKeyXXFWIADDXQRHJA-WDZFZDKYSA-N
XLogP2.17
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 52.17
H-Bond Donors ≤ 50
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,N'-bis(ethenyl)-2,2,2-trifluoro-N-methylethanimidamide?
The IUPAC name of N,N'-bis(ethenyl)-2,2,2-trifluoro-N-methylethanimidamide (CID 162594744) is N,N'-bis(ethenyl)-2,2,2-trifluoro-N-methylethanimidamide.
What is the SMILES notation for N,N'-bis(ethenyl)-2,2,2-trifluoro-N-methylethanimidamide?
The canonical SMILES for N,N'-bis(ethenyl)-2,2,2-trifluoro-N-methylethanimidamide is C=C/N=C(\N(C)C=C)C(F)(F)F.
What is the InChIKey of N,N'-bis(ethenyl)-2,2,2-trifluoro-N-methylethanimidamide?
The InChIKey is XXFWIADDXQRHJA-WDZFZDKYSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-4-11-6(7(8,9)10)12(3)5-2/h4-5H,1-2H2,3H3/b11-6-.
What are the key properties of N,N'-bis(ethenyl)-2,2,2-trifluoro-N-methylethanimidamide?
N,N'-bis(ethenyl)-2,2,2-trifluoro-N-methylethanimidamide has a molecular weight of 178.16 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(ethenyl)-2,2,2-trifluoro-N-methylethanimidamide is sourced from PubChem (CID 162594744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).