N-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethanimidamide

C7H9F3N2 — CID 162576759

IUPACN-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethanimidamide
SMILESC=N/C(C)=N/C=C(\C)C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-5(7(8,9)10)4-12-6(2)11-3/h4H,3H2,1-2H3/b5-4+,12-6+
InChIKeyRQGKKGBGTVQFMN-ICLXBRQCSA-N
MW178.16 g/mol
LogP2.57
Rot. Bonds1

About N-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethanimidamide

N-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethanimidamide (PubChem CID 162576759) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is N-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethanimidamide.

Molecular Properties

Compound NameN-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethanimidamide
PubChem CID162576759
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC NameN-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethanimidamide
SMILESC=N/C(C)=N/C=C(\C)C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-5(7(8,9)10)4-12-6(2)11-3/h4H,3H2,1-2H3/b5-4+,12-6+
InChIKeyRQGKKGBGTVQFMN-ICLXBRQCSA-N
XLogP2.57
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 52.57
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-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethanimidamide?
The IUPAC name of N-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethanimidamide (CID 162576759) is N-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethanimidamide.
What is the SMILES notation for N-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethanimidamide?
The canonical SMILES for N-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethanimidamide is C=N/C(C)=N/C=C(\C)C(F)(F)F.
What is the InChIKey of N-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethanimidamide?
The InChIKey is RQGKKGBGTVQFMN-ICLXBRQCSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-5(7(8,9)10)4-12-6(2)11-3/h4H,3H2,1-2H3/b5-4+,12-6+.
What are the key properties of N-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethanimidamide?
N-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethanimidamide has a molecular weight of 178.16 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]ethanimidamide is sourced from PubChem (CID 162576759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).