(E)-3-fluoro-2-(1-fluoroethenyl)-N-prop-1-en-2-ylbut-2-enamide

C9H11F2NO — CID 163770641

IUPAC(E)-3-fluoro-2-(1-fluoroethenyl)-N-prop-1-en-2-ylbut-2-enamide
SMILESC=C(C)NC(=O)/C(C(=C)F)=C(/C)F
InChIInChI=1S/C9H11F2NO/c1-5(2)12-9(13)8(6(3)10)7(4)11/h1,3H2,2,4H3,(H,12,13)/b8-7-
InChIKeyMGCWRJYIPRLTGV-FPLPWBNLSA-N
MW187.19 g/mol
LogP2.36
Rot. Bonds3

About (E)-3-fluoro-2-(1-fluoroethenyl)-N-prop-1-en-2-ylbut-2-enamide

(E)-3-fluoro-2-(1-fluoroethenyl)-N-prop-1-en-2-ylbut-2-enamide (PubChem CID 163770641) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is (E)-3-fluoro-2-(1-fluoroethenyl)-N-prop-1-en-2-ylbut-2-enamide.

Molecular Properties

Compound Name(E)-3-fluoro-2-(1-fluoroethenyl)-N-prop-1-en-2-ylbut-2-enamide
PubChem CID163770641
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name(E)-3-fluoro-2-(1-fluoroethenyl)-N-prop-1-en-2-ylbut-2-enamide
SMILESC=C(C)NC(=O)/C(C(=C)F)=C(/C)F
InChIInChI=1S/C9H11F2NO/c1-5(2)12-9(13)8(6(3)10)7(4)11/h1,3H2,2,4H3,(H,12,13)/b8-7-
InChIKeyMGCWRJYIPRLTGV-FPLPWBNLSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 52.36
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)-3-fluoro-2-(1-fluoroethenyl)-N-prop-1-en-2-ylbut-2-enamide?
The IUPAC name of (E)-3-fluoro-2-(1-fluoroethenyl)-N-prop-1-en-2-ylbut-2-enamide (CID 163770641) is (E)-3-fluoro-2-(1-fluoroethenyl)-N-prop-1-en-2-ylbut-2-enamide.
What is the SMILES notation for (E)-3-fluoro-2-(1-fluoroethenyl)-N-prop-1-en-2-ylbut-2-enamide?
The canonical SMILES for (E)-3-fluoro-2-(1-fluoroethenyl)-N-prop-1-en-2-ylbut-2-enamide is C=C(C)NC(=O)/C(C(=C)F)=C(/C)F.
What is the InChIKey of (E)-3-fluoro-2-(1-fluoroethenyl)-N-prop-1-en-2-ylbut-2-enamide?
The InChIKey is MGCWRJYIPRLTGV-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-5(2)12-9(13)8(6(3)10)7(4)11/h1,3H2,2,4H3,(H,12,13)/b8-7-.
What are the key properties of (E)-3-fluoro-2-(1-fluoroethenyl)-N-prop-1-en-2-ylbut-2-enamide?
(E)-3-fluoro-2-(1-fluoroethenyl)-N-prop-1-en-2-ylbut-2-enamide has a molecular weight of 187.19 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-2-(1-fluoroethenyl)-N-prop-1-en-2-ylbut-2-enamide is sourced from PubChem (CID 163770641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).