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

C9H15F2N3O — CID 177230000

IUPAC(2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide
SMILESC=C/C(=N\N(C)C)C(=O)NCCC(F)F
InChIInChI=1S/C9H15F2N3O/c1-4-7(13-14(2)3)9(15)12-6-5-8(10)11/h4,8H,1,5-6H2,2-3H3,(H,12,15)/b13-7+
InChIKeyFNPFXEBBFOPSAI-NTUHNPAUSA-N
MW219.24 g/mol
LogP0.86
Rot. Bonds6

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

(2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide (PubChem CID 177230000) has the molecular formula C9H15F2N3O and a molecular weight of 219.24 g/mol. Its IUPAC name is (2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide.

Molecular Properties

Compound Name(2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide
PubChem CID177230000
Molecular FormulaC9H15F2N3O
Molecular Weight219.24 g/mol
Exact Mass219.12
IUPAC Name(2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide
SMILESC=C/C(=N\N(C)C)C(=O)NCCC(F)F
InChIInChI=1S/C9H15F2N3O/c1-4-7(13-14(2)3)9(15)12-6-5-8(10)11/h4,8H,1,5-6H2,2-3H3,(H,12,15)/b13-7+
InChIKeyFNPFXEBBFOPSAI-NTUHNPAUSA-N
XLogP0.86
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.86
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

(2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide;ethane
CID 177229974
(2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide
CID 177229975
(2E)-2-(diethylhydrazinylidene)-N-methylbut-3-enamide
CID 89057134
(2E)-2-[ethyl(methyl)hydrazinylidene]-N-methylbut-3-enamide
CID 145062592
N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide
CID 171523312
N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide;molecular hydrogen
CID 171523476
N-[(2E)-2-(dimethylhydrazinylidene)but-3-enyl]-2-methylpropanamide
CID 171523716
ethane;N-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide
CID 171523739
ethane;2-methyl-N-[(2E)-2-(methylhydrazinylidene)but-3-enyl]propanamide
CID 172383927
(2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide;ethane
CID 177229999
N-[(2E)-2-[methyl(propan-2-yl)hydrazinylidene]but-3-enyl]acetamide
CID 171523740
2-methyl-N-[(2E)-2-(methylhydrazinylidene)but-3-enyl]propanamide
CID 172383928

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide?
The IUPAC name of (2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide (CID 177230000) is (2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide.
What is the SMILES notation for (2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide?
The canonical SMILES for (2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide is C=C/C(=N\N(C)C)C(=O)NCCC(F)F.
What is the InChIKey of (2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide?
The InChIKey is FNPFXEBBFOPSAI-NTUHNPAUSA-N. The full InChI is InChI=1S/C9H15F2N3O/c1-4-7(13-14(2)3)9(15)12-6-5-8(10)11/h4,8H,1,5-6H2,2-3H3,(H,12,15)/b13-7+.
What are the key properties of (2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide?
(2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide has a molecular weight of 219.24 g/mol, XLogP of 0.86, 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 is sourced from PubChem (CID 177230000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).