(E)-4-(3,3,3-trifluoroprop-1-en-2-ylimino)but-2-en-2-amine

C7H9F3N2 — CID 143245790

IUPAC(E)-4-(3,3,3-trifluoroprop-1-en-2-ylimino)but-2-en-2-amine
SMILESC=C(/N=C/C=C(\C)N)C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-5(11)3-4-12-6(2)7(8,9)10/h3-4H,2,11H2,1H3/b5-3+,12-4+
InChIKeyCFVHXYPVGWUFOJ-KNHODELZSA-N
MW178.16 g/mol
LogP2.00
Rot. Bonds2

About (E)-4-(3,3,3-trifluoroprop-1-en-2-ylimino)but-2-en-2-amine

(E)-4-(3,3,3-trifluoroprop-1-en-2-ylimino)but-2-en-2-amine (PubChem CID 143245790) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is (E)-4-(3,3,3-trifluoroprop-1-en-2-ylimino)but-2-en-2-amine.

Molecular Properties

Compound Name(E)-4-(3,3,3-trifluoroprop-1-en-2-ylimino)but-2-en-2-amine
PubChem CID143245790
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name(E)-4-(3,3,3-trifluoroprop-1-en-2-ylimino)but-2-en-2-amine
SMILESC=C(/N=C/C=C(\C)N)C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-5(11)3-4-12-6(2)7(8,9)10/h3-4H,2,11H2,1H3/b5-3+,12-4+
InChIKeyCFVHXYPVGWUFOJ-KNHODELZSA-N
XLogP2.00
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1,1,1-trifluoro-4-methyliminobut-2-en-2-amine
CID 88232102
(Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine
CID 88936986
(E)-3-(3,3,3-trifluoroprop-1-en-2-ylimino)prop-1-ene-1,2-diamine
CID 89025329
(E)-N-[(Z)-but-2-en-2-yl]-4,4,4-trifluorobut-2-en-1-imine
CID 89214268
N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]ethanimine
CID 117817156
N-(1,1,1-trifluorobut-2-en-2-yl)ethanimine
CID 123935366
(Z)-4-ethylimino-1,1,1-trifluorobut-2-en-2-amine
CID 134382222
(Z,1E)-1-(difluoromethylimino)-4-methylpent-2-en-3-amine
CID 138552377
4-Ethylimino-1,1,1-trifluorobut-2-en-2-amine
CID 142308477
1,1-Difluoro-4-methyliminobut-2-en-2-amine
CID 146689609
1,1,1-Trifluoro-4-methyliminobut-2-en-2-amine
CID 147541795
1,1,1-Trifluoro-4-iminobut-2-en-2-amine
CID 149125687

Frequently Asked Questions

What is the IUPAC name of (E)-4-(3,3,3-trifluoroprop-1-en-2-ylimino)but-2-en-2-amine?
The IUPAC name of (E)-4-(3,3,3-trifluoroprop-1-en-2-ylimino)but-2-en-2-amine (CID 143245790) is (E)-4-(3,3,3-trifluoroprop-1-en-2-ylimino)but-2-en-2-amine.
What is the SMILES notation for (E)-4-(3,3,3-trifluoroprop-1-en-2-ylimino)but-2-en-2-amine?
The canonical SMILES for (E)-4-(3,3,3-trifluoroprop-1-en-2-ylimino)but-2-en-2-amine is C=C(/N=C/C=C(\C)N)C(F)(F)F.
What is the InChIKey of (E)-4-(3,3,3-trifluoroprop-1-en-2-ylimino)but-2-en-2-amine?
The InChIKey is CFVHXYPVGWUFOJ-KNHODELZSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-5(11)3-4-12-6(2)7(8,9)10/h3-4H,2,11H2,1H3/b5-3+,12-4+.
What are the key properties of (E)-4-(3,3,3-trifluoroprop-1-en-2-ylimino)but-2-en-2-amine?
(E)-4-(3,3,3-trifluoroprop-1-en-2-ylimino)but-2-en-2-amine has a molecular weight of 178.16 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3,3,3-trifluoroprop-1-en-2-ylimino)but-2-en-2-amine is sourced from PubChem (CID 143245790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).