N'-ethenyl-2,2,2-trifluoro-N,N-dimethylethanimidamide

C6H9F3N2 — CID 139563800

IUPACN'-ethenyl-2,2,2-trifluoro-N,N-dimethylethanimidamide
SMILESC=C/N=C(\N(C)C)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-4-10-5(11(2)3)6(7,8)9/h4H,1H2,2-3H3/b10-5-
InChIKeyCYNUPNSHOAZJGL-YHYXMXQVSA-N
MW166.15 g/mol
LogP1.65
Rot. Bonds1

About N'-ethenyl-2,2,2-trifluoro-N,N-dimethylethanimidamide

N'-ethenyl-2,2,2-trifluoro-N,N-dimethylethanimidamide (PubChem CID 139563800) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is N'-ethenyl-2,2,2-trifluoro-N,N-dimethylethanimidamide.

Molecular Properties

Compound NameN'-ethenyl-2,2,2-trifluoro-N,N-dimethylethanimidamide
PubChem CID139563800
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC NameN'-ethenyl-2,2,2-trifluoro-N,N-dimethylethanimidamide
SMILESC=C/N=C(\N(C)C)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-4-10-5(11(2)3)6(7,8)9/h4H,1H2,2-3H3/b10-5-
InChIKeyCYNUPNSHOAZJGL-YHYXMXQVSA-N
XLogP1.65
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.65
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'-ethenyl-2,2,2-trifluoro-N,N-dimethylethanimidamide?
The IUPAC name of N'-ethenyl-2,2,2-trifluoro-N,N-dimethylethanimidamide (CID 139563800) is N'-ethenyl-2,2,2-trifluoro-N,N-dimethylethanimidamide.
What is the SMILES notation for N'-ethenyl-2,2,2-trifluoro-N,N-dimethylethanimidamide?
The canonical SMILES for N'-ethenyl-2,2,2-trifluoro-N,N-dimethylethanimidamide is C=C/N=C(\N(C)C)C(F)(F)F.
What is the InChIKey of N'-ethenyl-2,2,2-trifluoro-N,N-dimethylethanimidamide?
The InChIKey is CYNUPNSHOAZJGL-YHYXMXQVSA-N. The full InChI is InChI=1S/C6H9F3N2/c1-4-10-5(11(2)3)6(7,8)9/h4H,1H2,2-3H3/b10-5-.
What are the key properties of N'-ethenyl-2,2,2-trifluoro-N,N-dimethylethanimidamide?
N'-ethenyl-2,2,2-trifluoro-N,N-dimethylethanimidamide has a molecular weight of 166.15 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-2,2,2-trifluoro-N,N-dimethylethanimidamide is sourced from PubChem (CID 139563800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).