N-(7-fluoro-4-methyl-3-methylideneocta-1,4,6-trienyl)methanimine

C11H14FN — CID 123577773

IUPACN-(7-fluoro-4-methyl-3-methylideneocta-1,4,6-trienyl)methanimine
SMILESC=NC=CC(=C)C(C)=CC=C(C)F
InChIInChI=1S/C11H14FN/c1-9(5-6-11(3)12)10(2)7-8-13-4/h5-8H,2,4H2,1,3H3
InChIKeyWTTQZUOWYTWJHH-UHFFFAOYSA-N
MW179.24 g/mol
LogP3.58
Rot. Bonds4

About N-(7-fluoro-4-methyl-3-methylideneocta-1,4,6-trienyl)methanimine

N-(7-fluoro-4-methyl-3-methylideneocta-1,4,6-trienyl)methanimine (PubChem CID 123577773) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is N-(7-fluoro-4-methyl-3-methylideneocta-1,4,6-trienyl)methanimine.

Molecular Properties

Compound NameN-(7-fluoro-4-methyl-3-methylideneocta-1,4,6-trienyl)methanimine
PubChem CID123577773
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC NameN-(7-fluoro-4-methyl-3-methylideneocta-1,4,6-trienyl)methanimine
SMILESC=NC=CC(=C)C(C)=CC=C(C)F
InChIInChI=1S/C11H14FN/c1-9(5-6-11(3)12)10(2)7-8-13-4/h5-8H,2,4H2,1,3H3
InChIKeyWTTQZUOWYTWJHH-UHFFFAOYSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 53.58
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-(7-fluoro-4-methyl-3-methylideneocta-1,4,6-trienyl)methanimine?
The IUPAC name of N-(7-fluoro-4-methyl-3-methylideneocta-1,4,6-trienyl)methanimine (CID 123577773) is N-(7-fluoro-4-methyl-3-methylideneocta-1,4,6-trienyl)methanimine.
What is the SMILES notation for N-(7-fluoro-4-methyl-3-methylideneocta-1,4,6-trienyl)methanimine?
The canonical SMILES for N-(7-fluoro-4-methyl-3-methylideneocta-1,4,6-trienyl)methanimine is C=NC=CC(=C)C(C)=CC=C(C)F.
What is the InChIKey of N-(7-fluoro-4-methyl-3-methylideneocta-1,4,6-trienyl)methanimine?
The InChIKey is WTTQZUOWYTWJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-9(5-6-11(3)12)10(2)7-8-13-4/h5-8H,2,4H2,1,3H3.
What are the key properties of N-(7-fluoro-4-methyl-3-methylideneocta-1,4,6-trienyl)methanimine?
N-(7-fluoro-4-methyl-3-methylideneocta-1,4,6-trienyl)methanimine has a molecular weight of 179.24 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-4-methyl-3-methylideneocta-1,4,6-trienyl)methanimine is sourced from PubChem (CID 123577773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).