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

C10H15F3N2 — CID 155328062

IUPAC3-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pentanimidamide
SMILESC=C(CC)C/C(N)=N/C=C(\C)C(F)(F)F
InChIInChI=1S/C10H15F3N2/c1-4-7(2)5-9(14)15-6-8(3)10(11,12)13/h6H,2,4-5H2,1,3H3,(H2,14,15)/b8-6+
InChIKeyRGZCRCKHPXMDGH-SOFGYWHQSA-N
MW220.24 g/mol
LogP3.17
Rot. Bonds4

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

3-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pentanimidamide (PubChem CID 155328062) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 3-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pentanimidamide.

Molecular Properties

Compound Name3-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pentanimidamide
PubChem CID155328062
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name3-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pentanimidamide
SMILESC=C(CC)C/C(N)=N/C=C(\C)C(F)(F)F
InChIInChI=1S/C10H15F3N2/c1-4-7(2)5-9(14)15-6-8(3)10(11,12)13/h6H,2,4-5H2,1,3H3,(H2,14,15)/b8-6+
InChIKeyRGZCRCKHPXMDGH-SOFGYWHQSA-N
XLogP3.17
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 53.17
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pentanimidamide?
The IUPAC name of 3-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pentanimidamide (CID 155328062) is 3-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pentanimidamide.
What is the SMILES notation for 3-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pentanimidamide?
The canonical SMILES for 3-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pentanimidamide is C=C(CC)C/C(N)=N/C=C(\C)C(F)(F)F.
What is the InChIKey of 3-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pentanimidamide?
The InChIKey is RGZCRCKHPXMDGH-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-4-7(2)5-9(14)15-6-8(3)10(11,12)13/h6H,2,4-5H2,1,3H3,(H2,14,15)/b8-6+.
What are the key properties of 3-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pentanimidamide?
3-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pentanimidamide has a molecular weight of 220.24 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pentanimidamide is sourced from PubChem (CID 155328062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).