2,2,2-trifluoro-N'-methyl-N-[(Z)-prop-1-enyl]ethanimidamide

C6H9F3N2 — CID 144826412

IUPAC2,2,2-trifluoro-N'-methyl-N-[(Z)-prop-1-enyl]ethanimidamide
SMILESC/C=C\N/C(=N\C)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-3-4-11-5(10-2)6(7,8)9/h3-4H,1-2H3,(H,10,11)/b4-3-
InChIKeyXXJKEOBHMDNDQW-ARJAWSKDSA-N
MW166.15 g/mol
LogP1.70
Rot. Bonds1

About 2,2,2-trifluoro-N'-methyl-N-[(Z)-prop-1-enyl]ethanimidamide

2,2,2-trifluoro-N'-methyl-N-[(Z)-prop-1-enyl]ethanimidamide (PubChem CID 144826412) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-N'-methyl-N-[(Z)-prop-1-enyl]ethanimidamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N'-methyl-N-[(Z)-prop-1-enyl]ethanimidamide
PubChem CID144826412
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name2,2,2-trifluoro-N'-methyl-N-[(Z)-prop-1-enyl]ethanimidamide
SMILESC/C=C\N/C(=N\C)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-3-4-11-5(10-2)6(7,8)9/h3-4H,1-2H3,(H,10,11)/b4-3-
InChIKeyXXJKEOBHMDNDQW-ARJAWSKDSA-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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Related Compounds

N-ethenyl-N'-(2,2,2-trifluoroethyl)ethanimidamide
CID 88979778
N-ethenyl-2,2,2-trifluoro-N'-methylethanimidamide
CID 123521778
(E)-N-ethenyl-2-fluoro-N'-methylbut-2-enimidamide
CID 130343374
N-ethenyl-2,2,2-trifluoro-N'-(methyliminomethyl)ethanimidamide
CID 134191904
N-[(Z)-3-chloroprop-1-enyl]-2,2,2-trifluoro-N'-methylethanimidamide
CID 147925672
N-[(1E)-2-fluorobuta-1,3-dienyl]-N'-methylethanimidamide
CID 156349099
2-(Trifluoromethyl)-1,4-dihydropyrimidine
CID 164033996
2,2,2-trifluoro-N'-methyl-N-[(E)-2-(methylamino)ethenyl]ethanimidamide
CID 166888833
N'-methyl-N-[(E)-3,3,3-trifluoroprop-1-enyl]carbamimidoyl chloride
CID 170129674
N-ethenyl-2,2,2-trifluoro-N'-(2-methylpropyl)ethanimidamide
CID 147902599
N'-methyl-N-[(Z)-prop-1-enyl]ethanimidamide
CID 87171545
N'-methyl-N-prop-1-enylethanimidamide
CID 123478909

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N'-methyl-N-[(Z)-prop-1-enyl]ethanimidamide?
The IUPAC name of 2,2,2-trifluoro-N'-methyl-N-[(Z)-prop-1-enyl]ethanimidamide (CID 144826412) is 2,2,2-trifluoro-N'-methyl-N-[(Z)-prop-1-enyl]ethanimidamide.
What is the SMILES notation for 2,2,2-trifluoro-N'-methyl-N-[(Z)-prop-1-enyl]ethanimidamide?
The canonical SMILES for 2,2,2-trifluoro-N'-methyl-N-[(Z)-prop-1-enyl]ethanimidamide is C/C=C\N/C(=N\C)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N'-methyl-N-[(Z)-prop-1-enyl]ethanimidamide?
The InChIKey is XXJKEOBHMDNDQW-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H9F3N2/c1-3-4-11-5(10-2)6(7,8)9/h3-4H,1-2H3,(H,10,11)/b4-3-.
What are the key properties of 2,2,2-trifluoro-N'-methyl-N-[(Z)-prop-1-enyl]ethanimidamide?
2,2,2-trifluoro-N'-methyl-N-[(Z)-prop-1-enyl]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 2,2,2-trifluoro-N'-methyl-N-[(Z)-prop-1-enyl]ethanimidamide is sourced from PubChem (CID 144826412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).