(4Z)-N-ethenyl-4,5-difluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine

C12H13F2N — CID 143759772

IUPAC(4Z)-N-ethenyl-4,5-difluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
SMILESC=C/N=C/C(=C)C(=C)/C(F)=C(/F)C(=C)C
InChIInChI=1S/C12H13F2N/c1-6-15-7-9(4)10(5)12(14)11(13)8(2)3/h6-7H,1-2,4-5H2,3H3/b12-11-,15-7+
InChIKeyAUOLELNODMBXAM-IVSGXJALSA-N
MW209.24 g/mol
LogP4.04
Rot. Bonds5

About (4Z)-N-ethenyl-4,5-difluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine

(4Z)-N-ethenyl-4,5-difluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine (PubChem CID 143759772) has the molecular formula C12H13F2N and a molecular weight of 209.24 g/mol. Its IUPAC name is (4Z)-N-ethenyl-4,5-difluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine.

Molecular Properties

Compound Name(4Z)-N-ethenyl-4,5-difluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
PubChem CID143759772
Molecular FormulaC12H13F2N
Molecular Weight209.24 g/mol
Exact Mass209.10
IUPAC Name(4Z)-N-ethenyl-4,5-difluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
SMILESC=C/N=C/C(=C)C(=C)/C(F)=C(/F)C(=C)C
InChIInChI=1S/C12H13F2N/c1-6-15-7-9(4)10(5)12(14)11(13)8(2)3/h6-7H,1-2,4-5H2,3H3/b12-11-,15-7+
InChIKeyAUOLELNODMBXAM-IVSGXJALSA-N
XLogP4.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-N-ethenyl-4,5-difluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine?
The IUPAC name of (4Z)-N-ethenyl-4,5-difluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine (CID 143759772) is (4Z)-N-ethenyl-4,5-difluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine.
What is the SMILES notation for (4Z)-N-ethenyl-4,5-difluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine?
The canonical SMILES for (4Z)-N-ethenyl-4,5-difluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine is C=C/N=C/C(=C)C(=C)/C(F)=C(/F)C(=C)C.
What is the InChIKey of (4Z)-N-ethenyl-4,5-difluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine?
The InChIKey is AUOLELNODMBXAM-IVSGXJALSA-N. The full InChI is InChI=1S/C12H13F2N/c1-6-15-7-9(4)10(5)12(14)11(13)8(2)3/h6-7H,1-2,4-5H2,3H3/b12-11-,15-7+.
What are the key properties of (4Z)-N-ethenyl-4,5-difluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine?
(4Z)-N-ethenyl-4,5-difluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine has a molecular weight of 209.24 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-ethenyl-4,5-difluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine is sourced from PubChem (CID 143759772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).