(2Z,3E,5E)-2-(dimethylaminomethylidene)-4,5-difluoro-N-formyl-N-methylhepta-3,5-dienamide

C12H16F2N2O2 — CID 143264073

IUPAC(2Z,3E,5E)-2-(dimethylaminomethylidene)-4,5-difluoro-N-formyl-N-methylhepta-3,5-dienamide
SMILESC/C=C(F)\C(F)=C/C(=C/N(C)C)C(=O)N(C)C=O
InChIInChI=1S/C12H16F2N2O2/c1-5-10(13)11(14)6-9(7-15(2)3)12(18)16(4)8-17/h5-8H,1-4H3/b9-7-,10-5+,11-6+
InChIKeyMUGFEVCGADHHFC-FQUBDNGYSA-N
MW258.27 g/mol
LogP1.77
Rot. Bonds5

About (2Z,3E,5E)-2-(dimethylaminomethylidene)-4,5-difluoro-N-formyl-N-methylhepta-3,5-dienamide

(2Z,3E,5E)-2-(dimethylaminomethylidene)-4,5-difluoro-N-formyl-N-methylhepta-3,5-dienamide (PubChem CID 143264073) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is (2Z,3E,5E)-2-(dimethylaminomethylidene)-4,5-difluoro-N-formyl-N-methylhepta-3,5-dienamide.

Molecular Properties

Compound Name(2Z,3E,5E)-2-(dimethylaminomethylidene)-4,5-difluoro-N-formyl-N-methylhepta-3,5-dienamide
PubChem CID143264073
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name(2Z,3E,5E)-2-(dimethylaminomethylidene)-4,5-difluoro-N-formyl-N-methylhepta-3,5-dienamide
SMILESC/C=C(F)\C(F)=C/C(=C/N(C)C)C(=O)N(C)C=O
InChIInChI=1S/C12H16F2N2O2/c1-5-10(13)11(14)6-9(7-15(2)3)12(18)16(4)8-17/h5-8H,1-4H3/b9-7-,10-5+,11-6+
InChIKeyMUGFEVCGADHHFC-FQUBDNGYSA-N
XLogP1.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,3E,5E)-2-(dimethylaminomethylidene)-4,5-difluoro-N-formyl-N-methylhepta-3,5-dienamide?
The IUPAC name of (2Z,3E,5E)-2-(dimethylaminomethylidene)-4,5-difluoro-N-formyl-N-methylhepta-3,5-dienamide (CID 143264073) is (2Z,3E,5E)-2-(dimethylaminomethylidene)-4,5-difluoro-N-formyl-N-methylhepta-3,5-dienamide.
What is the SMILES notation for (2Z,3E,5E)-2-(dimethylaminomethylidene)-4,5-difluoro-N-formyl-N-methylhepta-3,5-dienamide?
The canonical SMILES for (2Z,3E,5E)-2-(dimethylaminomethylidene)-4,5-difluoro-N-formyl-N-methylhepta-3,5-dienamide is C/C=C(F)\C(F)=C/C(=C/N(C)C)C(=O)N(C)C=O.
What is the InChIKey of (2Z,3E,5E)-2-(dimethylaminomethylidene)-4,5-difluoro-N-formyl-N-methylhepta-3,5-dienamide?
The InChIKey is MUGFEVCGADHHFC-FQUBDNGYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-5-10(13)11(14)6-9(7-15(2)3)12(18)16(4)8-17/h5-8H,1-4H3/b9-7-,10-5+,11-6+.
What are the key properties of (2Z,3E,5E)-2-(dimethylaminomethylidene)-4,5-difluoro-N-formyl-N-methylhepta-3,5-dienamide?
(2Z,3E,5E)-2-(dimethylaminomethylidene)-4,5-difluoro-N-formyl-N-methylhepta-3,5-dienamide has a molecular weight of 258.27 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3E,5E)-2-(dimethylaminomethylidene)-4,5-difluoro-N-formyl-N-methylhepta-3,5-dienamide is sourced from PubChem (CID 143264073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).