(E)-4,4,4-trifluoro-3-pyridin-3-yliminobut-1-ene-1,2-diamine

C9H9F3N4 — CID 169213347

IUPAC(E)-4,4,4-trifluoro-3-pyridin-3-yliminobut-1-ene-1,2-diamine
SMILESN/C=C(N)\C(=N\c1cccnc1)C(F)(F)F
InChIInChI=1S/C9H9F3N4/c10-9(11,12)8(7(14)4-13)16-6-2-1-3-15-5-6/h1-5H,13-14H2/b7-4+,16-8-
InChIKeyFMSNUWPSLRNDRF-QSJINSDNSA-N
MW230.19 g/mol
LogP1.48
Rot. Bonds2

About (E)-4,4,4-trifluoro-3-pyridin-3-yliminobut-1-ene-1,2-diamine

(E)-4,4,4-trifluoro-3-pyridin-3-yliminobut-1-ene-1,2-diamine (PubChem CID 169213347) has the molecular formula C9H9F3N4 and a molecular weight of 230.19 g/mol. Its IUPAC name is (E)-4,4,4-trifluoro-3-pyridin-3-yliminobut-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-4,4,4-trifluoro-3-pyridin-3-yliminobut-1-ene-1,2-diamine
PubChem CID169213347
Molecular FormulaC9H9F3N4
Molecular Weight230.19 g/mol
Exact Mass230.08
IUPAC Name(E)-4,4,4-trifluoro-3-pyridin-3-yliminobut-1-ene-1,2-diamine
SMILESN/C=C(N)\C(=N\c1cccnc1)C(F)(F)F
InChIInChI=1S/C9H9F3N4/c10-9(11,12)8(7(14)4-13)16-6-2-1-3-15-5-6/h1-5H,13-14H2/b7-4+,16-8-
InChIKeyFMSNUWPSLRNDRF-QSJINSDNSA-N
XLogP1.48
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-4,4,4-trifluoro-3-pyridin-3-yliminobut-1-ene-1,2-diamine?
The IUPAC name of (E)-4,4,4-trifluoro-3-pyridin-3-yliminobut-1-ene-1,2-diamine (CID 169213347) is (E)-4,4,4-trifluoro-3-pyridin-3-yliminobut-1-ene-1,2-diamine.
What is the SMILES notation for (E)-4,4,4-trifluoro-3-pyridin-3-yliminobut-1-ene-1,2-diamine?
The canonical SMILES for (E)-4,4,4-trifluoro-3-pyridin-3-yliminobut-1-ene-1,2-diamine is N/C=C(N)\C(=N\c1cccnc1)C(F)(F)F.
What is the InChIKey of (E)-4,4,4-trifluoro-3-pyridin-3-yliminobut-1-ene-1,2-diamine?
The InChIKey is FMSNUWPSLRNDRF-QSJINSDNSA-N. The full InChI is InChI=1S/C9H9F3N4/c10-9(11,12)8(7(14)4-13)16-6-2-1-3-15-5-6/h1-5H,13-14H2/b7-4+,16-8-.
What are the key properties of (E)-4,4,4-trifluoro-3-pyridin-3-yliminobut-1-ene-1,2-diamine?
(E)-4,4,4-trifluoro-3-pyridin-3-yliminobut-1-ene-1,2-diamine has a molecular weight of 230.19 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4,4-trifluoro-3-pyridin-3-yliminobut-1-ene-1,2-diamine is sourced from PubChem (CID 169213347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).