(E)-4-N-ethylidene-3-fluoropent-3-ene-2,4-diimine

C7H11FN2 — CID 158525661

IUPAC(E)-4-N-ethylidene-3-fluoropent-3-ene-2,4-diimine
SMILES[H]/N=C(C)/C(F)=C(C)\N=C\C
InChIInChI=1S/C7H11FN2/c1-4-10-6(3)7(8)5(2)9/h4,9H,1-3H3/b7-6+,9-5+,10-4+
InChIKeyHMTGJOWHDCSEBH-MPTDVMHQSA-N
MW142.18 g/mol
LogP2.32
Rot. Bonds2

About (E)-4-N-ethylidene-3-fluoropent-3-ene-2,4-diimine

(E)-4-N-ethylidene-3-fluoropent-3-ene-2,4-diimine (PubChem CID 158525661) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is (E)-4-N-ethylidene-3-fluoropent-3-ene-2,4-diimine.

Molecular Properties

Compound Name(E)-4-N-ethylidene-3-fluoropent-3-ene-2,4-diimine
PubChem CID158525661
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name(E)-4-N-ethylidene-3-fluoropent-3-ene-2,4-diimine
SMILES[H]/N=C(C)/C(F)=C(C)\N=C\C
InChIInChI=1S/C7H11FN2/c1-4-10-6(3)7(8)5(2)9/h4,9H,1-3H3/b7-6+,9-5+,10-4+
InChIKeyHMTGJOWHDCSEBH-MPTDVMHQSA-N
XLogP2.32
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 52.32
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-N-ethylidene-3-fluoropent-3-ene-2,4-diimine?
The IUPAC name of (E)-4-N-ethylidene-3-fluoropent-3-ene-2,4-diimine (CID 158525661) is (E)-4-N-ethylidene-3-fluoropent-3-ene-2,4-diimine.
What is the SMILES notation for (E)-4-N-ethylidene-3-fluoropent-3-ene-2,4-diimine?
The canonical SMILES for (E)-4-N-ethylidene-3-fluoropent-3-ene-2,4-diimine is [H]/N=C(C)/C(F)=C(C)\N=C\C.
What is the InChIKey of (E)-4-N-ethylidene-3-fluoropent-3-ene-2,4-diimine?
The InChIKey is HMTGJOWHDCSEBH-MPTDVMHQSA-N. The full InChI is InChI=1S/C7H11FN2/c1-4-10-6(3)7(8)5(2)9/h4,9H,1-3H3/b7-6+,9-5+,10-4+.
What are the key properties of (E)-4-N-ethylidene-3-fluoropent-3-ene-2,4-diimine?
(E)-4-N-ethylidene-3-fluoropent-3-ene-2,4-diimine has a molecular weight of 142.18 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-N-ethylidene-3-fluoropent-3-ene-2,4-diimine is sourced from PubChem (CID 158525661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).