(E)-4,4,4-trifluoro-3-methanimidoylbut-2-en-2-amine

C5H7F3N2 — CID 143578330

IUPAC(E)-4,4,4-trifluoro-3-methanimidoylbut-2-en-2-amine
SMILES[H]/N=C/C(=C(/C)N)C(F)(F)F
InChIInChI=1S/C5H7F3N2/c1-3(10)4(2-9)5(6,7)8/h2,9H,10H2,1H3/b4-3+,9-2+
InChIKeyXNGQFRZMHVNLEB-KSMJZWKFSA-N
MW152.12 g/mol
LogP1.43
Rot. Bonds1

About (E)-4,4,4-trifluoro-3-methanimidoylbut-2-en-2-amine

(E)-4,4,4-trifluoro-3-methanimidoylbut-2-en-2-amine (PubChem CID 143578330) has the molecular formula C5H7F3N2 and a molecular weight of 152.12 g/mol. Its IUPAC name is (E)-4,4,4-trifluoro-3-methanimidoylbut-2-en-2-amine.

Molecular Properties

Compound Name(E)-4,4,4-trifluoro-3-methanimidoylbut-2-en-2-amine
PubChem CID143578330
Molecular FormulaC5H7F3N2
Molecular Weight152.12 g/mol
Exact Mass152.06
IUPAC Name(E)-4,4,4-trifluoro-3-methanimidoylbut-2-en-2-amine
SMILES[H]/N=C/C(=C(/C)N)C(F)(F)F
InChIInChI=1S/C5H7F3N2/c1-3(10)4(2-9)5(6,7)8/h2,9H,10H2,1H3/b4-3+,9-2+
InChIKeyXNGQFRZMHVNLEB-KSMJZWKFSA-N
XLogP1.43
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-fluoro-4-iminobut-2-en-2-amine
CID 88939348
(Z)-1,1,1-trifluoro-4-imino-3-methylbut-2-en-2-amine
CID 142052036
(Z)-4,4,4-trifluoro-N-methyl-3-(methyliminomethyl)but-2-en-2-amine
CID 144514836
1,1-Difluoro-3-methyl-4-methyliminobut-2-en-2-amine
CID 145390072
(Z)-5,5,5-trifluoro-3-methanimidoylpent-2-en-2-amine
CID 145695983
(E)-3-amino-2-(difluoromethyl)but-2-enimidoyl fluoride
CID 146392981
1,1,1-Trifluoro-3-methyl-4-methyliminobut-2-en-2-amine
CID 149190192
3-Fluoro-4-iminobut-2-en-2-amine
CID 152802871
1,1,1-Trifluoro-4-imino-3-methylbut-2-en-2-amine
CID 153264518
(E)-1,1,1-trifluoro-2-methanimidoyl-4-methylpent-2-en-3-amine
CID 167447412
1,1-Difluoro-3-methanimidoylpent-2-en-2-amine
CID 173845776
1,1-Difluoro-4-imino-3-methylbut-2-en-2-amine
CID 173910396

Frequently Asked Questions

What is the IUPAC name of (E)-4,4,4-trifluoro-3-methanimidoylbut-2-en-2-amine?
The IUPAC name of (E)-4,4,4-trifluoro-3-methanimidoylbut-2-en-2-amine (CID 143578330) is (E)-4,4,4-trifluoro-3-methanimidoylbut-2-en-2-amine.
What is the SMILES notation for (E)-4,4,4-trifluoro-3-methanimidoylbut-2-en-2-amine?
The canonical SMILES for (E)-4,4,4-trifluoro-3-methanimidoylbut-2-en-2-amine is [H]/N=C/C(=C(/C)N)C(F)(F)F.
What is the InChIKey of (E)-4,4,4-trifluoro-3-methanimidoylbut-2-en-2-amine?
The InChIKey is XNGQFRZMHVNLEB-KSMJZWKFSA-N. The full InChI is InChI=1S/C5H7F3N2/c1-3(10)4(2-9)5(6,7)8/h2,9H,10H2,1H3/b4-3+,9-2+.
What are the key properties of (E)-4,4,4-trifluoro-3-methanimidoylbut-2-en-2-amine?
(E)-4,4,4-trifluoro-3-methanimidoylbut-2-en-2-amine has a molecular weight of 152.12 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4,4-trifluoro-3-methanimidoylbut-2-en-2-amine is sourced from PubChem (CID 143578330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).