(Z)-N-ethyl-6,6,6-trifluoro-2-methylidenehex-3-enamide

C9H12F3NO — CID 135268278

IUPAC(Z)-N-ethyl-6,6,6-trifluoro-2-methylidenehex-3-enamide
SMILESC=C(/C=C\CC(F)(F)F)C(=O)NCC
InChIInChI=1S/C9H12F3NO/c1-3-13-8(14)7(2)5-4-6-9(10,11)12/h4-5H,2-3,6H2,1H3,(H,13,14)/b5-4-
InChIKeyRBQOKOAGVGTJMU-PLNGDYQASA-N
MW207.19 g/mol
LogP2.19
Rot. Bonds4

About (Z)-N-ethyl-6,6,6-trifluoro-2-methylidenehex-3-enamide

(Z)-N-ethyl-6,6,6-trifluoro-2-methylidenehex-3-enamide (PubChem CID 135268278) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is (Z)-N-ethyl-6,6,6-trifluoro-2-methylidenehex-3-enamide.

Molecular Properties

Compound Name(Z)-N-ethyl-6,6,6-trifluoro-2-methylidenehex-3-enamide
PubChem CID135268278
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name(Z)-N-ethyl-6,6,6-trifluoro-2-methylidenehex-3-enamide
SMILESC=C(/C=C\CC(F)(F)F)C(=O)NCC
InChIInChI=1S/C9H12F3NO/c1-3-13-8(14)7(2)5-4-6-9(10,11)12/h4-5H,2-3,6H2,1H3,(H,13,14)/b5-4-
InChIKeyRBQOKOAGVGTJMU-PLNGDYQASA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.19
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 (Z)-N-ethyl-6,6,6-trifluoro-2-methylidenehex-3-enamide?
The IUPAC name of (Z)-N-ethyl-6,6,6-trifluoro-2-methylidenehex-3-enamide (CID 135268278) is (Z)-N-ethyl-6,6,6-trifluoro-2-methylidenehex-3-enamide.
What is the SMILES notation for (Z)-N-ethyl-6,6,6-trifluoro-2-methylidenehex-3-enamide?
The canonical SMILES for (Z)-N-ethyl-6,6,6-trifluoro-2-methylidenehex-3-enamide is C=C(/C=C\CC(F)(F)F)C(=O)NCC.
What is the InChIKey of (Z)-N-ethyl-6,6,6-trifluoro-2-methylidenehex-3-enamide?
The InChIKey is RBQOKOAGVGTJMU-PLNGDYQASA-N. The full InChI is InChI=1S/C9H12F3NO/c1-3-13-8(14)7(2)5-4-6-9(10,11)12/h4-5H,2-3,6H2,1H3,(H,13,14)/b5-4-.
What are the key properties of (Z)-N-ethyl-6,6,6-trifluoro-2-methylidenehex-3-enamide?
(Z)-N-ethyl-6,6,6-trifluoro-2-methylidenehex-3-enamide has a molecular weight of 207.19 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-6,6,6-trifluoro-2-methylidenehex-3-enamide is sourced from PubChem (CID 135268278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).