methyl (3E)-4,4-difluoro-3-[formyl(methyl)hydrazinylidene]butanoate

C7H10F2N2O3 — CID 145162907

IUPACmethyl (3E)-4,4-difluoro-3-[formyl(methyl)hydrazinylidene]butanoate
SMILESCOC(=O)C/C(=N\N(C)C=O)C(F)F
InChIInChI=1S/C7H10F2N2O3/c1-11(4-12)10-5(7(8)9)3-6(13)14-2/h4,7H,3H2,1-2H3/b10-5+
InChIKeyLZPAFABWHNRMOW-BJMVGYQFSA-N
MW208.16 g/mol
LogP0.26
Rot. Bonds5

About methyl (3E)-4,4-difluoro-3-[formyl(methyl)hydrazinylidene]butanoate

methyl (3E)-4,4-difluoro-3-[formyl(methyl)hydrazinylidene]butanoate (PubChem CID 145162907) has the molecular formula C7H10F2N2O3 and a molecular weight of 208.16 g/mol. Its IUPAC name is methyl (3E)-4,4-difluoro-3-[formyl(methyl)hydrazinylidene]butanoate.

Molecular Properties

Compound Namemethyl (3E)-4,4-difluoro-3-[formyl(methyl)hydrazinylidene]butanoate
PubChem CID145162907
Molecular FormulaC7H10F2N2O3
Molecular Weight208.16 g/mol
Exact Mass208.07
IUPAC Namemethyl (3E)-4,4-difluoro-3-[formyl(methyl)hydrazinylidene]butanoate
SMILESCOC(=O)C/C(=N\N(C)C=O)C(F)F
InChIInChI=1S/C7H10F2N2O3/c1-11(4-12)10-5(7(8)9)3-6(13)14-2/h4,7H,3H2,1-2H3/b10-5+
InChIKeyLZPAFABWHNRMOW-BJMVGYQFSA-N
XLogP0.26
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.16
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (3E)-4,4-difluoro-3-[formyl(methyl)hydrazinylidene]butanoate?
The IUPAC name of methyl (3E)-4,4-difluoro-3-[formyl(methyl)hydrazinylidene]butanoate (CID 145162907) is methyl (3E)-4,4-difluoro-3-[formyl(methyl)hydrazinylidene]butanoate.
What is the SMILES notation for methyl (3E)-4,4-difluoro-3-[formyl(methyl)hydrazinylidene]butanoate?
The canonical SMILES for methyl (3E)-4,4-difluoro-3-[formyl(methyl)hydrazinylidene]butanoate is COC(=O)C/C(=N\N(C)C=O)C(F)F.
What is the InChIKey of methyl (3E)-4,4-difluoro-3-[formyl(methyl)hydrazinylidene]butanoate?
The InChIKey is LZPAFABWHNRMOW-BJMVGYQFSA-N. The full InChI is InChI=1S/C7H10F2N2O3/c1-11(4-12)10-5(7(8)9)3-6(13)14-2/h4,7H,3H2,1-2H3/b10-5+.
What are the key properties of methyl (3E)-4,4-difluoro-3-[formyl(methyl)hydrazinylidene]butanoate?
methyl (3E)-4,4-difluoro-3-[formyl(methyl)hydrazinylidene]butanoate has a molecular weight of 208.16 g/mol, XLogP of 0.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3E)-4,4-difluoro-3-[formyl(methyl)hydrazinylidene]butanoate is sourced from PubChem (CID 145162907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).