4-fluoro-N,N-dimethylbut-2-enamide

C6H10FNO — CID 141430534

IUPAC4-fluoro-N,N-dimethylbut-2-enamide
SMILESCN(C)C(=O)C=CCF
InChIInChI=1S/C6H10FNO/c1-8(2)6(9)4-3-5-7/h3-4H,5H2,1-2H3
InChIKeyOELXUDHOJNDKQC-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.60
Rot. Bonds2

About 4-fluoro-N,N-dimethylbut-2-enamide

4-fluoro-N,N-dimethylbut-2-enamide (PubChem CID 141430534) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 4-fluoro-N,N-dimethylbut-2-enamide.

Molecular Properties

Compound Name4-fluoro-N,N-dimethylbut-2-enamide
PubChem CID141430534
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name4-fluoro-N,N-dimethylbut-2-enamide
SMILESCN(C)C(=O)C=CCF
InChIInChI=1S/C6H10FNO/c1-8(2)6(9)4-3-5-7/h3-4H,5H2,1-2H3
InChIKeyOELXUDHOJNDKQC-UHFFFAOYSA-N
XLogP0.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.60
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 4-fluoro-N,N-dimethylbut-2-enamide?
The IUPAC name of 4-fluoro-N,N-dimethylbut-2-enamide (CID 141430534) is 4-fluoro-N,N-dimethylbut-2-enamide.
What is the SMILES notation for 4-fluoro-N,N-dimethylbut-2-enamide?
The canonical SMILES for 4-fluoro-N,N-dimethylbut-2-enamide is CN(C)C(=O)C=CCF.
What is the InChIKey of 4-fluoro-N,N-dimethylbut-2-enamide?
The InChIKey is OELXUDHOJNDKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c1-8(2)6(9)4-3-5-7/h3-4H,5H2,1-2H3.
What are the key properties of 4-fluoro-N,N-dimethylbut-2-enamide?
4-fluoro-N,N-dimethylbut-2-enamide has a molecular weight of 131.15 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,N-dimethylbut-2-enamide is sourced from PubChem (CID 141430534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).