(E)-3-ethyl-N,4-dimethylpent-2-enimidoyl fluoride

C9H16FN — CID 176575425

IUPAC(E)-3-ethyl-N,4-dimethylpent-2-enimidoyl fluoride
SMILESCC/C(=C\C(F)=N\C)C(C)C
InChIInChI=1S/C9H16FN/c1-5-8(7(2)3)6-9(10)11-4/h6-7H,5H2,1-4H3/b8-6+,11-9-
InChIKeyCARQOJCJYKNHRR-RVNZKKONSA-N
MW157.23 g/mol
LogP2.98
Rot. Bonds3

About (E)-3-ethyl-N,4-dimethylpent-2-enimidoyl fluoride

(E)-3-ethyl-N,4-dimethylpent-2-enimidoyl fluoride (PubChem CID 176575425) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (E)-3-ethyl-N,4-dimethylpent-2-enimidoyl fluoride.

Molecular Properties

Compound Name(E)-3-ethyl-N,4-dimethylpent-2-enimidoyl fluoride
PubChem CID176575425
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(E)-3-ethyl-N,4-dimethylpent-2-enimidoyl fluoride
SMILESCC/C(=C\C(F)=N\C)C(C)C
InChIInChI=1S/C9H16FN/c1-5-8(7(2)3)6-9(10)11-4/h6-7H,5H2,1-4H3/b8-6+,11-9-
InChIKeyCARQOJCJYKNHRR-RVNZKKONSA-N
XLogP2.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-ethyl-N,4-dimethylpent-2-enimidoyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-ethyl-N,4-dimethylpent-2-enimidoyl fluoride?
The IUPAC name of (E)-3-ethyl-N,4-dimethylpent-2-enimidoyl fluoride (CID 176575425) is (E)-3-ethyl-N,4-dimethylpent-2-enimidoyl fluoride.
What is the SMILES notation for (E)-3-ethyl-N,4-dimethylpent-2-enimidoyl fluoride?
The canonical SMILES for (E)-3-ethyl-N,4-dimethylpent-2-enimidoyl fluoride is CC/C(=C\C(F)=N\C)C(C)C.
What is the InChIKey of (E)-3-ethyl-N,4-dimethylpent-2-enimidoyl fluoride?
The InChIKey is CARQOJCJYKNHRR-RVNZKKONSA-N. The full InChI is InChI=1S/C9H16FN/c1-5-8(7(2)3)6-9(10)11-4/h6-7H,5H2,1-4H3/b8-6+,11-9-.
What are the key properties of (E)-3-ethyl-N,4-dimethylpent-2-enimidoyl fluoride?
(E)-3-ethyl-N,4-dimethylpent-2-enimidoyl fluoride has a molecular weight of 157.23 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethyl-N,4-dimethylpent-2-enimidoyl fluoride is sourced from PubChem (CID 176575425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).