(E)-3-fluoro-N,N-dimethylprop-2-enamide

C5H8FNO — CID 90023748

IUPAC(E)-3-fluoro-N,N-dimethylprop-2-enamide
SMILESCN(C)C(=O)/C=C/F
InChIInChI=1S/C5H8FNO/c1-7(2)5(8)3-4-6/h3-4H,1-2H3/b4-3+
InChIKeyJJHZXBXANWIZNP-ONEGZZNKSA-N
MW117.12 g/mol
LogP0.56
Rot. Bonds1

About (E)-3-fluoro-N,N-dimethylprop-2-enamide

(E)-3-fluoro-N,N-dimethylprop-2-enamide (PubChem CID 90023748) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is (E)-3-fluoro-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-fluoro-N,N-dimethylprop-2-enamide
PubChem CID90023748
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name(E)-3-fluoro-N,N-dimethylprop-2-enamide
SMILESCN(C)C(=O)/C=C/F
InChIInChI=1S/C5H8FNO/c1-7(2)5(8)3-4-6/h3-4H,1-2H3/b4-3+
InChIKeyJJHZXBXANWIZNP-ONEGZZNKSA-N
XLogP0.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-N,N-dimethylprop-2-enamide?
The IUPAC name of (E)-3-fluoro-N,N-dimethylprop-2-enamide (CID 90023748) is (E)-3-fluoro-N,N-dimethylprop-2-enamide.
What is the SMILES notation for (E)-3-fluoro-N,N-dimethylprop-2-enamide?
The canonical SMILES for (E)-3-fluoro-N,N-dimethylprop-2-enamide is CN(C)C(=O)/C=C/F.
What is the InChIKey of (E)-3-fluoro-N,N-dimethylprop-2-enamide?
The InChIKey is JJHZXBXANWIZNP-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H8FNO/c1-7(2)5(8)3-4-6/h3-4H,1-2H3/b4-3+.
What are the key properties of (E)-3-fluoro-N,N-dimethylprop-2-enamide?
(E)-3-fluoro-N,N-dimethylprop-2-enamide has a molecular weight of 117.12 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 90023748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).