(E)-4-fluoro-N,N-dimethylbut-2-enamide

C6H10FNO — CID 90023862

IUPAC(E)-4-fluoro-N,N-dimethylbut-2-enamide
SMILESCN(C)C(=O)/C=C/CF
InChIInChI=1S/C6H10FNO/c1-8(2)6(9)4-3-5-7/h3-4H,5H2,1-2H3/b4-3+
InChIKeyOELXUDHOJNDKQC-ONEGZZNKSA-N
MW131.15 g/mol
LogP0.60
Rot. Bonds2

About (E)-4-fluoro-N,N-dimethylbut-2-enamide

(E)-4-fluoro-N,N-dimethylbut-2-enamide (PubChem CID 90023862) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is (E)-4-fluoro-N,N-dimethylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-fluoro-N,N-dimethylbut-2-enamide
PubChem CID90023862
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name(E)-4-fluoro-N,N-dimethylbut-2-enamide
SMILESCN(C)C(=O)/C=C/CF
InChIInChI=1S/C6H10FNO/c1-8(2)6(9)4-3-5-7/h3-4H,5H2,1-2H3/b4-3+
InChIKeyOELXUDHOJNDKQC-ONEGZZNKSA-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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Related Compounds

N,N-Dimethylacrylamide
CID 17587
(E)-N,N,N',N'-tetramethylbut-2-enediamide
CID 5822195
2,4-Hexadienamide, N,N-dimethyl-, (2E,4E)-
CID 12892836
Butenamide, N,N-dimethyl-
CID 5365902
(E)-N,N-diethylbut-2-enamide
CID 5354453
(E)-4,4,4-trifluoro-N,N-dimethylbut-2-enamide
CID 24858005
N,N-Dimethyl-2-butenamide
CID 141000
2-Butenamide,n,n-diethyl-, (2e)-
CID 223376
(Z)-N,N-dimethylbut-2-enamide
CID 12423231
(E)-N,N-dimethylpent-2-enamide
CID 12423232
1-Ethyl-1H-pyrrol-2(5H)-one
CID 20770500
N,N-dimethylprop-2-enamide;ethene
CID 157088353

Frequently Asked Questions

What is the IUPAC name of (E)-4-fluoro-N,N-dimethylbut-2-enamide?
The IUPAC name of (E)-4-fluoro-N,N-dimethylbut-2-enamide (CID 90023862) is (E)-4-fluoro-N,N-dimethylbut-2-enamide.
What is the SMILES notation for (E)-4-fluoro-N,N-dimethylbut-2-enamide?
The canonical SMILES for (E)-4-fluoro-N,N-dimethylbut-2-enamide is CN(C)C(=O)/C=C/CF.
What is the InChIKey of (E)-4-fluoro-N,N-dimethylbut-2-enamide?
The InChIKey is OELXUDHOJNDKQC-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H10FNO/c1-8(2)6(9)4-3-5-7/h3-4H,5H2,1-2H3/b4-3+.
What are the key properties of (E)-4-fluoro-N,N-dimethylbut-2-enamide?
(E)-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 (E)-4-fluoro-N,N-dimethylbut-2-enamide is sourced from PubChem (CID 90023862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).