(E,2Z)-2-(1-fluoroethylidene)-N,4,5-trimethylhex-3-enamide

C11H18FNO — CID 129041557

IUPAC(E,2Z)-2-(1-fluoroethylidene)-N,4,5-trimethylhex-3-enamide
SMILESCNC(=O)C(/C=C(\C)C(C)C)=C(/C)F
InChIInChI=1S/C11H18FNO/c1-7(2)8(3)6-10(9(4)12)11(14)13-5/h6-7H,1-5H3,(H,13,14)/b8-6+,10-9-
InChIKeyDKGYBDFNOXCJIF-YGKWUCAESA-N
MW199.27 g/mol
LogP2.58
Rot. Bonds3

About (E,2Z)-2-(1-fluoroethylidene)-N,4,5-trimethylhex-3-enamide

(E,2Z)-2-(1-fluoroethylidene)-N,4,5-trimethylhex-3-enamide (PubChem CID 129041557) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is (E,2Z)-2-(1-fluoroethylidene)-N,4,5-trimethylhex-3-enamide.

Molecular Properties

Compound Name(E,2Z)-2-(1-fluoroethylidene)-N,4,5-trimethylhex-3-enamide
PubChem CID129041557
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name(E,2Z)-2-(1-fluoroethylidene)-N,4,5-trimethylhex-3-enamide
SMILESCNC(=O)C(/C=C(\C)C(C)C)=C(/C)F
InChIInChI=1S/C11H18FNO/c1-7(2)8(3)6-10(9(4)12)11(14)13-5/h6-7H,1-5H3,(H,13,14)/b8-6+,10-9-
InChIKeyDKGYBDFNOXCJIF-YGKWUCAESA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.58
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'}

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Frequently Asked Questions

What is the IUPAC name of (E,2Z)-2-(1-fluoroethylidene)-N,4,5-trimethylhex-3-enamide?
The IUPAC name of (E,2Z)-2-(1-fluoroethylidene)-N,4,5-trimethylhex-3-enamide (CID 129041557) is (E,2Z)-2-(1-fluoroethylidene)-N,4,5-trimethylhex-3-enamide.
What is the SMILES notation for (E,2Z)-2-(1-fluoroethylidene)-N,4,5-trimethylhex-3-enamide?
The canonical SMILES for (E,2Z)-2-(1-fluoroethylidene)-N,4,5-trimethylhex-3-enamide is CNC(=O)C(/C=C(\C)C(C)C)=C(/C)F.
What is the InChIKey of (E,2Z)-2-(1-fluoroethylidene)-N,4,5-trimethylhex-3-enamide?
The InChIKey is DKGYBDFNOXCJIF-YGKWUCAESA-N. The full InChI is InChI=1S/C11H18FNO/c1-7(2)8(3)6-10(9(4)12)11(14)13-5/h6-7H,1-5H3,(H,13,14)/b8-6+,10-9-.
What are the key properties of (E,2Z)-2-(1-fluoroethylidene)-N,4,5-trimethylhex-3-enamide?
(E,2Z)-2-(1-fluoroethylidene)-N,4,5-trimethylhex-3-enamide has a molecular weight of 199.27 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2Z)-2-(1-fluoroethylidene)-N,4,5-trimethylhex-3-enamide is sourced from PubChem (CID 129041557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).