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

C5H7F3N2 — CID 138462458

IUPACN'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimidamide
SMILESC/C(=C\N=C\N)C(F)(F)F
InChIInChI=1S/C5H7F3N2/c1-4(2-10-3-9)5(6,7)8/h2-3H,1H3,(H2,9,10)/b4-2+
InChIKeyDCZGXABKZOSCCK-DUXPYHPUSA-N
MW152.12 g/mol
LogP1.44
Rot. Bonds1

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

N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimidamide (PubChem CID 138462458) has the molecular formula C5H7F3N2 and a molecular weight of 152.12 g/mol. Its IUPAC name is N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimidamide
PubChem CID138462458
Molecular FormulaC5H7F3N2
Molecular Weight152.12 g/mol
Exact Mass152.06
IUPAC NameN'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimidamide
SMILESC/C(=C\N=C\N)C(F)(F)F
InChIInChI=1S/C5H7F3N2/c1-4(2-10-3-9)5(6,7)8/h2-3H,1H3,(H2,9,10)/b4-2+
InChIKeyDCZGXABKZOSCCK-DUXPYHPUSA-N
XLogP1.44
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 51.44
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'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimidamide?
The IUPAC name of N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimidamide (CID 138462458) is N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimidamide.
What is the SMILES notation for N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimidamide?
The canonical SMILES for N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimidamide is C/C(=C\N=C\N)C(F)(F)F.
What is the InChIKey of N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimidamide?
The InChIKey is DCZGXABKZOSCCK-DUXPYHPUSA-N. The full InChI is InChI=1S/C5H7F3N2/c1-4(2-10-3-9)5(6,7)8/h2-3H,1H3,(H2,9,10)/b4-2+.
What are the key properties of N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimidamide?
N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimidamide has a molecular weight of 152.12 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimidamide is sourced from PubChem (CID 138462458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).