(E)-N-ethyl-4-fluoro-N-methylbut-2-enamide

C7H12FNO — CID 145199657

IUPAC(E)-N-ethyl-4-fluoro-N-methylbut-2-enamide
SMILESCCN(C)C(=O)/C=C/CF
InChIInChI=1S/C7H12FNO/c1-3-9(2)7(10)5-4-6-8/h4-5H,3,6H2,1-2H3/b5-4+
InChIKeyRISHXRAJAZASEI-SNAWJCMRSA-N
MW145.18 g/mol
LogP0.99
Rot. Bonds3

About (E)-N-ethyl-4-fluoro-N-methylbut-2-enamide

(E)-N-ethyl-4-fluoro-N-methylbut-2-enamide (PubChem CID 145199657) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is (E)-N-ethyl-4-fluoro-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-4-fluoro-N-methylbut-2-enamide
PubChem CID145199657
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name(E)-N-ethyl-4-fluoro-N-methylbut-2-enamide
SMILESCCN(C)C(=O)/C=C/CF
InChIInChI=1S/C7H12FNO/c1-3-9(2)7(10)5-4-6-8/h4-5H,3,6H2,1-2H3/b5-4+
InChIKeyRISHXRAJAZASEI-SNAWJCMRSA-N
XLogP0.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.99
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-Diethylacrylamide
CID 17583
N,N-Diallylacrylamide
CID 95114
2H-Pyrrol-2-one, 1,5-dihydro-1-methyl-
CID 535819
N-Methyl-N-(prop-2-en-1-yl)acetamide
CID 14417064
Butenamide, N,N-dimethyl-
CID 5365902
(E)-N,N-diethylbut-2-enamide
CID 5354453
2-Butenamide, N,N-diisopropyl-, (E)-
CID 5366037
2,4-Hexadienamide, N,N-diethyl-
CID 5368935
1-(2,5-Dihydropyrrol-1-yl)ethanone
CID 11446304
2H-Pyrrol-2-one, 5,5-difluoro-1,5-dihydro-1-methyl-
CID 11263511
(E)-4,4,4-trifluoro-N,N-dimethylbut-2-enamide
CID 24858005
N,N-Dimethyl-2-butenamide
CID 141000

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-4-fluoro-N-methylbut-2-enamide?
The IUPAC name of (E)-N-ethyl-4-fluoro-N-methylbut-2-enamide (CID 145199657) is (E)-N-ethyl-4-fluoro-N-methylbut-2-enamide.
What is the SMILES notation for (E)-N-ethyl-4-fluoro-N-methylbut-2-enamide?
The canonical SMILES for (E)-N-ethyl-4-fluoro-N-methylbut-2-enamide is CCN(C)C(=O)/C=C/CF.
What is the InChIKey of (E)-N-ethyl-4-fluoro-N-methylbut-2-enamide?
The InChIKey is RISHXRAJAZASEI-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H12FNO/c1-3-9(2)7(10)5-4-6-8/h4-5H,3,6H2,1-2H3/b5-4+.
What are the key properties of (E)-N-ethyl-4-fluoro-N-methylbut-2-enamide?
(E)-N-ethyl-4-fluoro-N-methylbut-2-enamide has a molecular weight of 145.18 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-4-fluoro-N-methylbut-2-enamide is sourced from PubChem (CID 145199657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).