N-[(E,5Z)-5-[[difluoromethyl(methyl)amino]methylidene]-2-oxonon-6-en-3-yl]formamide

C13H20F2N2O2 — CID 178058168

IUPACN-[(E,5Z)-5-[[difluoromethyl(methyl)amino]methylidene]-2-oxonon-6-en-3-yl]formamide
SMILESCC/C=C/C(=C\N(C)C(F)F)CC(NC=O)C(C)=O
InChIInChI=1S/C13H20F2N2O2/c1-4-5-6-11(8-17(3)13(14)15)7-12(10(2)19)16-9-18/h5-6,8-9,12-13H,4,7H2,1-3H3,(H,16,18)/b6-5+,11-8+
InChIKeyZRPUIDDKCNMXSN-BXROQLSZSA-N
MW274.31 g/mol
LogP2.08
Rot. Bonds9

About N-[(E,5Z)-5-[[difluoromethyl(methyl)amino]methylidene]-2-oxonon-6-en-3-yl]formamide

N-[(E,5Z)-5-[[difluoromethyl(methyl)amino]methylidene]-2-oxonon-6-en-3-yl]formamide (PubChem CID 178058168) has the molecular formula C13H20F2N2O2 and a molecular weight of 274.31 g/mol. Its IUPAC name is N-[(E,5Z)-5-[[difluoromethyl(methyl)amino]methylidene]-2-oxonon-6-en-3-yl]formamide.

Molecular Properties

Compound NameN-[(E,5Z)-5-[[difluoromethyl(methyl)amino]methylidene]-2-oxonon-6-en-3-yl]formamide
PubChem CID178058168
Molecular FormulaC13H20F2N2O2
Molecular Weight274.31 g/mol
Exact Mass274.15
IUPAC NameN-[(E,5Z)-5-[[difluoromethyl(methyl)amino]methylidene]-2-oxonon-6-en-3-yl]formamide
SMILESCC/C=C/C(=C\N(C)C(F)F)CC(NC=O)C(C)=O
InChIInChI=1S/C13H20F2N2O2/c1-4-5-6-11(8-17(3)13(14)15)7-12(10(2)19)16-9-18/h5-6,8-9,12-13H,4,7H2,1-3H3,(H,16,18)/b6-5+,11-8+
InChIKeyZRPUIDDKCNMXSN-BXROQLSZSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S,5Z)-5-ethenyl-2-oxoocta-5,7-dien-3-yl]-2,2,2-trifluoroacetamide
CID 156751181
N-[(5Z)-5-ethenyl-2-oxoocta-5,7-dien-3-yl]formamide
CID 171532225
N-[(Z)-5-[(E)-but-1-enyl]-2-oxonon-5-en-3-yl]formamide
CID 178057982

Frequently Asked Questions

What is the IUPAC name of N-[(E,5Z)-5-[[difluoromethyl(methyl)amino]methylidene]-2-oxonon-6-en-3-yl]formamide?
The IUPAC name of N-[(E,5Z)-5-[[difluoromethyl(methyl)amino]methylidene]-2-oxonon-6-en-3-yl]formamide (CID 178058168) is N-[(E,5Z)-5-[[difluoromethyl(methyl)amino]methylidene]-2-oxonon-6-en-3-yl]formamide.
What is the SMILES notation for N-[(E,5Z)-5-[[difluoromethyl(methyl)amino]methylidene]-2-oxonon-6-en-3-yl]formamide?
The canonical SMILES for N-[(E,5Z)-5-[[difluoromethyl(methyl)amino]methylidene]-2-oxonon-6-en-3-yl]formamide is CC/C=C/C(=C\N(C)C(F)F)CC(NC=O)C(C)=O.
What is the InChIKey of N-[(E,5Z)-5-[[difluoromethyl(methyl)amino]methylidene]-2-oxonon-6-en-3-yl]formamide?
The InChIKey is ZRPUIDDKCNMXSN-BXROQLSZSA-N. The full InChI is InChI=1S/C13H20F2N2O2/c1-4-5-6-11(8-17(3)13(14)15)7-12(10(2)19)16-9-18/h5-6,8-9,12-13H,4,7H2,1-3H3,(H,16,18)/b6-5+,11-8+.
What are the key properties of N-[(E,5Z)-5-[[difluoromethyl(methyl)amino]methylidene]-2-oxonon-6-en-3-yl]formamide?
N-[(E,5Z)-5-[[difluoromethyl(methyl)amino]methylidene]-2-oxonon-6-en-3-yl]formamide has a molecular weight of 274.31 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,5Z)-5-[[difluoromethyl(methyl)amino]methylidene]-2-oxonon-6-en-3-yl]formamide is sourced from PubChem (CID 178058168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).