(2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide;ethane

C11H21F2N3O — CID 177229999

IUPAC(2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide;ethane
SMILESC=C/C(=N\N(C)C)C(=O)NCCC(F)F.CC
InChIInChI=1S/C9H15F2N3O.C2H6/c1-4-7(13-14(2)3)9(15)12-6-5-8(10)11;1-2/h4,8H,1,5-6H2,2-3H3,(H,12,15);1-2H3/b13-7+;
InChIKeyDFYFMEKNROXVBU-FTPOTTDRSA-N
MW249.31 g/mol
LogP1.89
Rot. Bonds6

About (2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide;ethane

(2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide;ethane (PubChem CID 177229999) has the molecular formula C11H21F2N3O and a molecular weight of 249.31 g/mol. Its IUPAC name is (2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide;ethane.

Molecular Properties

Compound Name(2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide;ethane
PubChem CID177229999
Molecular FormulaC11H21F2N3O
Molecular Weight249.31 g/mol
Exact Mass249.17
IUPAC Name(2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide;ethane
SMILESC=C/C(=N\N(C)C)C(=O)NCCC(F)F.CC
InChIInChI=1S/C9H15F2N3O.C2H6/c1-4-7(13-14(2)3)9(15)12-6-5-8(10)11;1-2/h4,8H,1,5-6H2,2-3H3,(H,12,15);1-2H3/b13-7+;
InChIKeyDFYFMEKNROXVBU-FTPOTTDRSA-N
XLogP1.89
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-difluoropropyl)-2-methylprop-2-enamide
CID 89332583
N-(3,3-difluoropropyl)butanamide
CID 147098310
N-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide;ethane
CID 178010298
N'-[2-(diethylamino)ethyl]-N-(3-methylbutyl)oxamide
CID 108522253
N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]-2,2-dimethylpropanamide;ethane
CID 177229966
N,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride
CID 173003472
N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;propane
CID 144591761
N-[4-(dimethylamino)hexyl]prop-2-enamide
CID 22764760
6-[[(2E)-2-(dimethylhydrazinylidene)but-3-enoyl]amino]-N-methyl-4-propan-2-ylpyridazine-3-carboxamide;molecular hydrogen
CID 177348453
N-(3,3-difluoropropyl)but-3-en-2-amine
CID 130679907
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-1-ene
CID 91268844
N-[3-[prop-2-enoyl(propyl)amino]butyl]prop-2-enamide
CID 134438406

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide;ethane?
The IUPAC name of (2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide;ethane (CID 177229999) is (2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide;ethane.
What is the SMILES notation for (2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide;ethane?
The canonical SMILES for (2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide;ethane is C=C/C(=N\N(C)C)C(=O)NCCC(F)F.CC.
What is the InChIKey of (2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide;ethane?
The InChIKey is DFYFMEKNROXVBU-FTPOTTDRSA-N. The full InChI is InChI=1S/C9H15F2N3O.C2H6/c1-4-7(13-14(2)3)9(15)12-6-5-8(10)11;1-2/h4,8H,1,5-6H2,2-3H3,(H,12,15);1-2H3/b13-7+;.
What are the key properties of (2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide;ethane?
(2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide;ethane has a molecular weight of 249.31 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide;ethane is sourced from PubChem (CID 177229999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).