2,2,2-trifluoro-N'-methyl-N-prop-1-en-2-ylethanimidamide

C6H9F3N2 — CID 137380968

IUPAC2,2,2-trifluoro-N'-methyl-N-prop-1-en-2-ylethanimidamide
SMILESC=C(C)N/C(=N\C)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-4(2)11-5(10-3)6(7,8)9/h1H2,2-3H3,(H,10,11)
InChIKeyGFZPUJXKFOPEKV-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.70
Rot. Bonds1

About 2,2,2-trifluoro-N'-methyl-N-prop-1-en-2-ylethanimidamide

2,2,2-trifluoro-N'-methyl-N-prop-1-en-2-ylethanimidamide (PubChem CID 137380968) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-N'-methyl-N-prop-1-en-2-ylethanimidamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N'-methyl-N-prop-1-en-2-ylethanimidamide
PubChem CID137380968
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name2,2,2-trifluoro-N'-methyl-N-prop-1-en-2-ylethanimidamide
SMILESC=C(C)N/C(=N\C)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-4(2)11-5(10-3)6(7,8)9/h1H2,2-3H3,(H,10,11)
InChIKeyGFZPUJXKFOPEKV-UHFFFAOYSA-N
XLogP1.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.70
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 2,2,2-trifluoro-N'-methyl-N-prop-1-en-2-ylethanimidamide?
The IUPAC name of 2,2,2-trifluoro-N'-methyl-N-prop-1-en-2-ylethanimidamide (CID 137380968) is 2,2,2-trifluoro-N'-methyl-N-prop-1-en-2-ylethanimidamide.
What is the SMILES notation for 2,2,2-trifluoro-N'-methyl-N-prop-1-en-2-ylethanimidamide?
The canonical SMILES for 2,2,2-trifluoro-N'-methyl-N-prop-1-en-2-ylethanimidamide is C=C(C)N/C(=N\C)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N'-methyl-N-prop-1-en-2-ylethanimidamide?
The InChIKey is GFZPUJXKFOPEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2/c1-4(2)11-5(10-3)6(7,8)9/h1H2,2-3H3,(H,10,11).
What are the key properties of 2,2,2-trifluoro-N'-methyl-N-prop-1-en-2-ylethanimidamide?
2,2,2-trifluoro-N'-methyl-N-prop-1-en-2-ylethanimidamide has a molecular weight of 166.15 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N'-methyl-N-prop-1-en-2-ylethanimidamide is sourced from PubChem (CID 137380968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).