N'-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide

C6H9F3N2 — CID 89357802

IUPACN'-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide
SMILESC=C(N/C(C)=N/C)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-4(6(7,8)9)11-5(2)10-3/h1H2,2-3H3,(H,10,11)
InChIKeyKDZIOZJDAASFII-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.70
Rot. Bonds1

About N'-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide

N'-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide (PubChem CID 89357802) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is N'-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide
PubChem CID89357802
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC NameN'-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide
SMILESC=C(N/C(C)=N/C)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-4(6(7,8)9)11-5(2)10-3/h1H2,2-3H3,(H,10,11)
InChIKeyKDZIOZJDAASFII-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 N'-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide?
The IUPAC name of N'-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide (CID 89357802) is N'-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide.
What is the SMILES notation for N'-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide?
The canonical SMILES for N'-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide is C=C(N/C(C)=N/C)C(F)(F)F.
What is the InChIKey of N'-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide?
The InChIKey is KDZIOZJDAASFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2/c1-4(6(7,8)9)11-5(2)10-3/h1H2,2-3H3,(H,10,11).
What are the key properties of N'-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide?
N'-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide 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 N'-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide is sourced from PubChem (CID 89357802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).