N'-[(Z)-4,4,4-trifluoro-3-methylbut-1-enyl]ethanimidamide

C7H11F3N2 — CID 162561600

IUPACN'-[(Z)-4,4,4-trifluoro-3-methylbut-1-enyl]ethanimidamide
SMILESC/C(N)=N\C=C/C(C)C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-5(7(8,9)10)3-4-12-6(2)11/h3-5H,1-2H3,(H2,11,12)/b4-3-
InChIKeyJYEVKNVFJMTHAX-ARJAWSKDSA-N
MW180.17 g/mol
LogP2.08
Rot. Bonds2

About N'-[(Z)-4,4,4-trifluoro-3-methylbut-1-enyl]ethanimidamide

N'-[(Z)-4,4,4-trifluoro-3-methylbut-1-enyl]ethanimidamide (PubChem CID 162561600) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is N'-[(Z)-4,4,4-trifluoro-3-methylbut-1-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-4,4,4-trifluoro-3-methylbut-1-enyl]ethanimidamide
PubChem CID162561600
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC NameN'-[(Z)-4,4,4-trifluoro-3-methylbut-1-enyl]ethanimidamide
SMILESC/C(N)=N\C=C/C(C)C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-5(7(8,9)10)3-4-12-6(2)11/h3-5H,1-2H3,(H2,11,12)/b4-3-
InChIKeyJYEVKNVFJMTHAX-ARJAWSKDSA-N
XLogP2.08
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 52.08
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'-[(Z)-4,4,4-trifluoro-3-methylbut-1-enyl]ethanimidamide?
The IUPAC name of N'-[(Z)-4,4,4-trifluoro-3-methylbut-1-enyl]ethanimidamide (CID 162561600) is N'-[(Z)-4,4,4-trifluoro-3-methylbut-1-enyl]ethanimidamide.
What is the SMILES notation for N'-[(Z)-4,4,4-trifluoro-3-methylbut-1-enyl]ethanimidamide?
The canonical SMILES for N'-[(Z)-4,4,4-trifluoro-3-methylbut-1-enyl]ethanimidamide is C/C(N)=N\C=C/C(C)C(F)(F)F.
What is the InChIKey of N'-[(Z)-4,4,4-trifluoro-3-methylbut-1-enyl]ethanimidamide?
The InChIKey is JYEVKNVFJMTHAX-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-5(7(8,9)10)3-4-12-6(2)11/h3-5H,1-2H3,(H2,11,12)/b4-3-.
What are the key properties of N'-[(Z)-4,4,4-trifluoro-3-methylbut-1-enyl]ethanimidamide?
N'-[(Z)-4,4,4-trifluoro-3-methylbut-1-enyl]ethanimidamide has a molecular weight of 180.17 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-4,4,4-trifluoro-3-methylbut-1-enyl]ethanimidamide is sourced from PubChem (CID 162561600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).