(Z,2E)-2-ethylidene-5-fluoro-5-methylhex-3-enamide

C9H14FNO — CID 89044295

IUPAC(Z,2E)-2-ethylidene-5-fluoro-5-methylhex-3-enamide
SMILESC/C=C(\C=C/C(C)(C)F)C(N)=O
InChIInChI=1S/C9H14FNO/c1-4-7(8(11)12)5-6-9(2,3)10/h4-6H,1-3H3,(H2,11,12)/b6-5-,7-4+
InChIKeyUOOLBMOPABFEOU-IUQJDUBZSA-N
MW171.21 g/mol
LogP1.72
Rot. Bonds3

About (Z,2E)-2-ethylidene-5-fluoro-5-methylhex-3-enamide

(Z,2E)-2-ethylidene-5-fluoro-5-methylhex-3-enamide (PubChem CID 89044295) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is (Z,2E)-2-ethylidene-5-fluoro-5-methylhex-3-enamide.

Molecular Properties

Compound Name(Z,2E)-2-ethylidene-5-fluoro-5-methylhex-3-enamide
PubChem CID89044295
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Name(Z,2E)-2-ethylidene-5-fluoro-5-methylhex-3-enamide
SMILESC/C=C(\C=C/C(C)(C)F)C(N)=O
InChIInChI=1S/C9H14FNO/c1-4-7(8(11)12)5-6-9(2,3)10/h4-6H,1-3H3,(H2,11,12)/b6-5-,7-4+
InChIKeyUOOLBMOPABFEOU-IUQJDUBZSA-N
XLogP1.72
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z,2E)-2-ethylidene-5-fluoro-5-methylhex-3-enamide 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 (Z,2E)-2-ethylidene-5-fluoro-5-methylhex-3-enamide?
The IUPAC name of (Z,2E)-2-ethylidene-5-fluoro-5-methylhex-3-enamide (CID 89044295) is (Z,2E)-2-ethylidene-5-fluoro-5-methylhex-3-enamide.
What is the SMILES notation for (Z,2E)-2-ethylidene-5-fluoro-5-methylhex-3-enamide?
The canonical SMILES for (Z,2E)-2-ethylidene-5-fluoro-5-methylhex-3-enamide is C/C=C(\C=C/C(C)(C)F)C(N)=O.
What is the InChIKey of (Z,2E)-2-ethylidene-5-fluoro-5-methylhex-3-enamide?
The InChIKey is UOOLBMOPABFEOU-IUQJDUBZSA-N. The full InChI is InChI=1S/C9H14FNO/c1-4-7(8(11)12)5-6-9(2,3)10/h4-6H,1-3H3,(H2,11,12)/b6-5-,7-4+.
What are the key properties of (Z,2E)-2-ethylidene-5-fluoro-5-methylhex-3-enamide?
(Z,2E)-2-ethylidene-5-fluoro-5-methylhex-3-enamide has a molecular weight of 171.21 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-2-ethylidene-5-fluoro-5-methylhex-3-enamide is sourced from PubChem (CID 89044295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).