(E)-3-chloro-2-fluoro-3-(methylamino)prop-2-enamide

C4H6ClFN2O — CID 134292437

IUPAC(E)-3-chloro-2-fluoro-3-(methylamino)prop-2-enamide
SMILESCN/C(Cl)=C(\F)C(N)=O
InChIInChI=1S/C4H6ClFN2O/c1-8-3(5)2(6)4(7)9/h8H,1H3,(H2,7,9)/b3-2-
InChIKeyCFTZAQUIBHLOTE-IHWYPQMZSA-N
MW152.56 g/mol
LogP0.07
Rot. Bonds2

About (E)-3-chloro-2-fluoro-3-(methylamino)prop-2-enamide

(E)-3-chloro-2-fluoro-3-(methylamino)prop-2-enamide (PubChem CID 134292437) has the molecular formula C4H6ClFN2O and a molecular weight of 152.56 g/mol. Its IUPAC name is (E)-3-chloro-2-fluoro-3-(methylamino)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-chloro-2-fluoro-3-(methylamino)prop-2-enamide
PubChem CID134292437
Molecular FormulaC4H6ClFN2O
Molecular Weight152.56 g/mol
Exact Mass152.02
IUPAC Name(E)-3-chloro-2-fluoro-3-(methylamino)prop-2-enamide
SMILESCN/C(Cl)=C(\F)C(N)=O
InChIInChI=1S/C4H6ClFN2O/c1-8-3(5)2(6)4(7)9/h8H,1H3,(H2,7,9)/b3-2-
InChIKeyCFTZAQUIBHLOTE-IHWYPQMZSA-N
XLogP0.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.56
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-chloro-2-fluoro-3-(methylamino)prop-2-enimidoyl fluoride
CID 146392881
methylurea;ruthenium
CID 159209634
hydrazine;methylurea
CID 158581810
methylurea;hydrate
CID 141425619
ethane;N'-methyloxamide
CID 176938398
carbonyl dichloride;N-methylmethanamine
CID 157447004
methylurea;hydrate;hydrochloride
CID 172734420
1-chloro-N,2-dimethylprop-1-en-1-amine
CID 86211686
methyl (Z)-3-chloro-2-methyl-3-(methylamino)prop-2-enoate
CID 166928500
fluorophosphonic acid;methylurea
CID 173044631
acetamide;bis(N-methylmethanamine)
CID 172694142
N',2-dimethylpropanediamide
CID 19785845

Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-2-fluoro-3-(methylamino)prop-2-enamide?
The IUPAC name of (E)-3-chloro-2-fluoro-3-(methylamino)prop-2-enamide (CID 134292437) is (E)-3-chloro-2-fluoro-3-(methylamino)prop-2-enamide.
What is the SMILES notation for (E)-3-chloro-2-fluoro-3-(methylamino)prop-2-enamide?
The canonical SMILES for (E)-3-chloro-2-fluoro-3-(methylamino)prop-2-enamide is CN/C(Cl)=C(\F)C(N)=O.
What is the InChIKey of (E)-3-chloro-2-fluoro-3-(methylamino)prop-2-enamide?
The InChIKey is CFTZAQUIBHLOTE-IHWYPQMZSA-N. The full InChI is InChI=1S/C4H6ClFN2O/c1-8-3(5)2(6)4(7)9/h8H,1H3,(H2,7,9)/b3-2-.
What are the key properties of (E)-3-chloro-2-fluoro-3-(methylamino)prop-2-enamide?
(E)-3-chloro-2-fluoro-3-(methylamino)prop-2-enamide has a molecular weight of 152.56 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-2-fluoro-3-(methylamino)prop-2-enamide is sourced from PubChem (CID 134292437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).