N-[(3Z,5E)-1,2-difluoro-6,7-dimethylocta-3,5-dien-3-yl]methanimine

C11H17F2N — CID 170109662

IUPACN-[(3Z,5E)-1,2-difluoro-6,7-dimethylocta-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C\C=C(/C)C(C)C)C(F)CF
InChIInChI=1S/C11H17F2N/c1-8(2)9(3)5-6-11(14-4)10(13)7-12/h5-6,8,10H,4,7H2,1-3H3/b9-5+,11-6-
InChIKeyFIZIVSMBCGYBOE-LDABVSGMSA-N
MW201.26 g/mol
LogP3.48
Rot. Bonds5

About N-[(3Z,5E)-1,2-difluoro-6,7-dimethylocta-3,5-dien-3-yl]methanimine

N-[(3Z,5E)-1,2-difluoro-6,7-dimethylocta-3,5-dien-3-yl]methanimine (PubChem CID 170109662) has the molecular formula C11H17F2N and a molecular weight of 201.26 g/mol. Its IUPAC name is N-[(3Z,5E)-1,2-difluoro-6,7-dimethylocta-3,5-dien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(3Z,5E)-1,2-difluoro-6,7-dimethylocta-3,5-dien-3-yl]methanimine
PubChem CID170109662
Molecular FormulaC11H17F2N
Molecular Weight201.26 g/mol
Exact Mass201.13
IUPAC NameN-[(3Z,5E)-1,2-difluoro-6,7-dimethylocta-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C\C=C(/C)C(C)C)C(F)CF
InChIInChI=1S/C11H17F2N/c1-8(2)9(3)5-6-11(14-4)10(13)7-12/h5-6,8,10H,4,7H2,1-3H3/b9-5+,11-6-
InChIKeyFIZIVSMBCGYBOE-LDABVSGMSA-N
XLogP3.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 53.48
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 N-[(3Z,5E)-1,2-difluoro-6,7-dimethylocta-3,5-dien-3-yl]methanimine?
The IUPAC name of N-[(3Z,5E)-1,2-difluoro-6,7-dimethylocta-3,5-dien-3-yl]methanimine (CID 170109662) is N-[(3Z,5E)-1,2-difluoro-6,7-dimethylocta-3,5-dien-3-yl]methanimine.
What is the SMILES notation for N-[(3Z,5E)-1,2-difluoro-6,7-dimethylocta-3,5-dien-3-yl]methanimine?
The canonical SMILES for N-[(3Z,5E)-1,2-difluoro-6,7-dimethylocta-3,5-dien-3-yl]methanimine is C=N/C(=C\C=C(/C)C(C)C)C(F)CF.
What is the InChIKey of N-[(3Z,5E)-1,2-difluoro-6,7-dimethylocta-3,5-dien-3-yl]methanimine?
The InChIKey is FIZIVSMBCGYBOE-LDABVSGMSA-N. The full InChI is InChI=1S/C11H17F2N/c1-8(2)9(3)5-6-11(14-4)10(13)7-12/h5-6,8,10H,4,7H2,1-3H3/b9-5+,11-6-.
What are the key properties of N-[(3Z,5E)-1,2-difluoro-6,7-dimethylocta-3,5-dien-3-yl]methanimine?
N-[(3Z,5E)-1,2-difluoro-6,7-dimethylocta-3,5-dien-3-yl]methanimine has a molecular weight of 201.26 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5E)-1,2-difluoro-6,7-dimethylocta-3,5-dien-3-yl]methanimine is sourced from PubChem (CID 170109662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).