(E)-2-ethyl-3-fluorobut-2-ene-1,4-diimine

C6H9FN2 — CID 170214303

IUPAC(E)-2-ethyl-3-fluorobut-2-ene-1,4-diimine
SMILES[H]/N=C/C(F)=C(\C=N\[H])CC
InChIInChI=1S/C6H9FN2/c1-2-5(3-8)6(7)4-9/h3-4,8-9H,2H2,1H3/b6-5+,8-3+,9-4+
InChIKeyLHMGQNHHNSXTCE-SZDGWZMRSA-N
MW128.15 g/mol
LogP1.92
Rot. Bonds3

About (E)-2-ethyl-3-fluorobut-2-ene-1,4-diimine

(E)-2-ethyl-3-fluorobut-2-ene-1,4-diimine (PubChem CID 170214303) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is (E)-2-ethyl-3-fluorobut-2-ene-1,4-diimine.

Molecular Properties

Compound Name(E)-2-ethyl-3-fluorobut-2-ene-1,4-diimine
PubChem CID170214303
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name(E)-2-ethyl-3-fluorobut-2-ene-1,4-diimine
SMILES[H]/N=C/C(F)=C(\C=N\[H])CC
InChIInChI=1S/C6H9FN2/c1-2-5(3-8)6(7)4-9/h3-4,8-9H,2H2,1H3/b6-5+,8-3+,9-4+
InChIKeyLHMGQNHHNSXTCE-SZDGWZMRSA-N
XLogP1.92
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.92
H-Bond Donors ≤ 52
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)-2-ethyl-3-fluorobut-2-ene-1,4-diimine?
The IUPAC name of (E)-2-ethyl-3-fluorobut-2-ene-1,4-diimine (CID 170214303) is (E)-2-ethyl-3-fluorobut-2-ene-1,4-diimine.
What is the SMILES notation for (E)-2-ethyl-3-fluorobut-2-ene-1,4-diimine?
The canonical SMILES for (E)-2-ethyl-3-fluorobut-2-ene-1,4-diimine is [H]/N=C/C(F)=C(\C=N\[H])CC.
What is the InChIKey of (E)-2-ethyl-3-fluorobut-2-ene-1,4-diimine?
The InChIKey is LHMGQNHHNSXTCE-SZDGWZMRSA-N. The full InChI is InChI=1S/C6H9FN2/c1-2-5(3-8)6(7)4-9/h3-4,8-9H,2H2,1H3/b6-5+,8-3+,9-4+.
What are the key properties of (E)-2-ethyl-3-fluorobut-2-ene-1,4-diimine?
(E)-2-ethyl-3-fluorobut-2-ene-1,4-diimine has a molecular weight of 128.15 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-3-fluorobut-2-ene-1,4-diimine is sourced from PubChem (CID 170214303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).