(E)-4-fluoro-N-methyl-1-(2,2,2-trifluoroethylimino)but-2-en-2-amine

C7H10F4N2 — CID 166850508

IUPAC(E)-4-fluoro-N-methyl-1-(2,2,2-trifluoroethylimino)but-2-en-2-amine
SMILESCNC(/C=N/CC(F)(F)F)=C/CF
InChIInChI=1S/C7H10F4N2/c1-12-6(2-3-8)4-13-5-7(9,10)11/h2,4,12H,3,5H2,1H3/b6-2+,13-4+
InChIKeyIDBJAUHZZRECHM-VIHQCFRGSA-N
MW198.16 g/mol
LogP1.69
Rot. Bonds4

About (E)-4-fluoro-N-methyl-1-(2,2,2-trifluoroethylimino)but-2-en-2-amine

(E)-4-fluoro-N-methyl-1-(2,2,2-trifluoroethylimino)but-2-en-2-amine (PubChem CID 166850508) has the molecular formula C7H10F4N2 and a molecular weight of 198.16 g/mol. Its IUPAC name is (E)-4-fluoro-N-methyl-1-(2,2,2-trifluoroethylimino)but-2-en-2-amine.

Molecular Properties

Compound Name(E)-4-fluoro-N-methyl-1-(2,2,2-trifluoroethylimino)but-2-en-2-amine
PubChem CID166850508
Molecular FormulaC7H10F4N2
Molecular Weight198.16 g/mol
Exact Mass198.08
IUPAC Name(E)-4-fluoro-N-methyl-1-(2,2,2-trifluoroethylimino)but-2-en-2-amine
SMILESCNC(/C=N/CC(F)(F)F)=C/CF
InChIInChI=1S/C7H10F4N2/c1-12-6(2-3-8)4-13-5-7(9,10)11/h2,4,12H,3,5H2,1H3/b6-2+,13-4+
InChIKeyIDBJAUHZZRECHM-VIHQCFRGSA-N
XLogP1.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.16
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-fluoro-N-methyl-1-(2,2,2-trifluoroethylimino)but-2-en-2-amine?
The IUPAC name of (E)-4-fluoro-N-methyl-1-(2,2,2-trifluoroethylimino)but-2-en-2-amine (CID 166850508) is (E)-4-fluoro-N-methyl-1-(2,2,2-trifluoroethylimino)but-2-en-2-amine.
What is the SMILES notation for (E)-4-fluoro-N-methyl-1-(2,2,2-trifluoroethylimino)but-2-en-2-amine?
The canonical SMILES for (E)-4-fluoro-N-methyl-1-(2,2,2-trifluoroethylimino)but-2-en-2-amine is CNC(/C=N/CC(F)(F)F)=C/CF.
What is the InChIKey of (E)-4-fluoro-N-methyl-1-(2,2,2-trifluoroethylimino)but-2-en-2-amine?
The InChIKey is IDBJAUHZZRECHM-VIHQCFRGSA-N. The full InChI is InChI=1S/C7H10F4N2/c1-12-6(2-3-8)4-13-5-7(9,10)11/h2,4,12H,3,5H2,1H3/b6-2+,13-4+.
What are the key properties of (E)-4-fluoro-N-methyl-1-(2,2,2-trifluoroethylimino)but-2-en-2-amine?
(E)-4-fluoro-N-methyl-1-(2,2,2-trifluoroethylimino)but-2-en-2-amine has a molecular weight of 198.16 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-fluoro-N-methyl-1-(2,2,2-trifluoroethylimino)but-2-en-2-amine is sourced from PubChem (CID 166850508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).