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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Related Compounds

N-[2-methyl-3-methylidene-5-(trifluoromethyl)hepta-1,4,6-trienyl]ethanimine
CID 91593348
N-[(1Z,3E)-4-fluoro-2-propan-2-ylpenta-1,3-dienyl]methanimine
CID 126510384
(2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine
CID 126516076
N-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine
CID 129106503
N-[(1Z,3Z)-3-tert-butyl-4-fluoropenta-1,3-dienyl]methanimine
CID 129156639
N-[(1Z,3E)-4-fluoro-2-methylpenta-1,3-dienyl]methanimine
CID 130296619
N-[(1E,3Z)-1-fluoro-2-methylpenta-1,3-dienyl]methanimine
CID 130403842
N-[(2Z)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 130413066
N-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine
CID 130413111
N-[(Z)-2-(3-fluoro-5-methyl-2H-pyridin-1-yl)ethenyl]methanimine
CID 134485393
N-[(1Z,3E)-4-fluoro-3-propan-2-ylpenta-1,3-dienyl]methanimine
CID 135202911
N-[(1Z,3E)-5,5,5-trifluoro-4-methyl-2-propan-2-ylpenta-1,3-dienyl]methanimine
CID 137443888

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).