N-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine

C12H16FN — CID 123451765

IUPACN-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine
SMILESC=NC(C(=C)C)=C(F)C=C(C)C(=C)C
InChIInChI=1S/C12H16FN/c1-8(2)10(5)7-11(13)12(14-6)9(3)4/h7H,1,3,6H2,2,4-5H3
InChIKeySVHAZLVIFVZEKL-UHFFFAOYSA-N
MW193.26 g/mol
LogP3.97
Rot. Bonds4

About N-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine

N-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine (PubChem CID 123451765) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is N-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine.

Molecular Properties

Compound NameN-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine
PubChem CID123451765
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC NameN-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine
SMILESC=NC(C(=C)C)=C(F)C=C(C)C(=C)C
InChIInChI=1S/C12H16FN/c1-8(2)10(5)7-11(13)12(14-6)9(3)4/h7H,1,3,6H2,2,4-5H3
InChIKeySVHAZLVIFVZEKL-UHFFFAOYSA-N
XLogP3.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 53.97
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-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine?
The IUPAC name of N-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine (CID 123451765) is N-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine.
What is the SMILES notation for N-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine?
The canonical SMILES for N-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine is C=NC(C(=C)C)=C(F)C=C(C)C(=C)C.
What is the InChIKey of N-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine?
The InChIKey is SVHAZLVIFVZEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-8(2)10(5)7-11(13)12(14-6)9(3)4/h7H,1,3,6H2,2,4-5H3.
What are the key properties of N-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine?
N-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine has a molecular weight of 193.26 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine is sourced from PubChem (CID 123451765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).