(E)-4-[2-fluoroethyl(methyl)amino]but-2-enamide

C7H13FN2O — CID 168983703

IUPAC(E)-4-[2-fluoroethyl(methyl)amino]but-2-enamide
SMILESCN(C/C=C/C(N)=O)CCF
InChIInChI=1S/C7H13FN2O/c1-10(6-4-8)5-2-3-7(9)11/h2-3H,4-6H2,1H3,(H2,9,11)/b3-2+
InChIKeyQACFGACQDODESK-NSCUHMNNSA-N
MW160.19 g/mol
LogP-0.07
Rot. Bonds5

About (E)-4-[2-fluoroethyl(methyl)amino]but-2-enamide

(E)-4-[2-fluoroethyl(methyl)amino]but-2-enamide (PubChem CID 168983703) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is (E)-4-[2-fluoroethyl(methyl)amino]but-2-enamide.

Molecular Properties

Compound Name(E)-4-[2-fluoroethyl(methyl)amino]but-2-enamide
PubChem CID168983703
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Name(E)-4-[2-fluoroethyl(methyl)amino]but-2-enamide
SMILESCN(C/C=C/C(N)=O)CCF
InChIInChI=1S/C7H13FN2O/c1-10(6-4-8)5-2-3-7(9)11/h2-3H,4-6H2,1H3,(H2,9,11)/b3-2+
InChIKeyQACFGACQDODESK-NSCUHMNNSA-N
XLogP-0.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(dimethylamino)-N-methylbut-2-enamide
CID 20813441
(E)-4-(Dimethylamino)but-2-enamide
CID 10582800
(2E)-4-amino-N,N-dimethylbut-2-enamide hydrochloride
CID 134163223
Dimethyl-bis(prop-2-enyl)azanium;prop-2-enamide
CID 23514292
4-(Dimethylamino)but-2-enamide
CID 54514979
4-(3,3-Difluoroazetidin-1-yl)but-2-enamide
CID 123643771
(E)-4-amino-N,N-dimethylbut-2-enamide
CID 130533155
4-(Dimethylamino)-2-fluorobut-2-enamide
CID 141312196
(E)-N-ethyl-4-fluoro-N-methylbut-2-enamide
CID 145199657
(E)-4-(3-fluoroazetidin-1-yl)but-2-enamide
CID 145314664
(E)-N-ethyl-4-[methyl(2,2,2-trifluoroethyl)amino]but-2-enamide
CID 162375580
(Z)-4-(dimethylamino)-2-fluorobut-2-enamide
CID 163569362

Frequently Asked Questions

What is the IUPAC name of (E)-4-[2-fluoroethyl(methyl)amino]but-2-enamide?
The IUPAC name of (E)-4-[2-fluoroethyl(methyl)amino]but-2-enamide (CID 168983703) is (E)-4-[2-fluoroethyl(methyl)amino]but-2-enamide.
What is the SMILES notation for (E)-4-[2-fluoroethyl(methyl)amino]but-2-enamide?
The canonical SMILES for (E)-4-[2-fluoroethyl(methyl)amino]but-2-enamide is CN(C/C=C/C(N)=O)CCF.
What is the InChIKey of (E)-4-[2-fluoroethyl(methyl)amino]but-2-enamide?
The InChIKey is QACFGACQDODESK-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H13FN2O/c1-10(6-4-8)5-2-3-7(9)11/h2-3H,4-6H2,1H3,(H2,9,11)/b3-2+.
What are the key properties of (E)-4-[2-fluoroethyl(methyl)amino]but-2-enamide?
(E)-4-[2-fluoroethyl(methyl)amino]but-2-enamide has a molecular weight of 160.19 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[2-fluoroethyl(methyl)amino]but-2-enamide is sourced from PubChem (CID 168983703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).