1-(5-fluorocyclohepta-1,3,6-trien-1-yl)-N-methylmethanimine

C9H10FN — CID 143995117

IUPAC1-(5-fluorocyclohepta-1,3,6-trien-1-yl)-N-methylmethanimine
SMILESC/N=C/C1=CC=CC(F)C=C1
InChIInChI=1S/C9H10FN/c1-11-7-8-3-2-4-9(10)6-5-8/h2-7,9H,1H3/b11-7+
InChIKeyIZNMCTWMZLZVML-YRNVUSSQSA-N
MW151.18 g/mol
LogP2.08
Rot. Bonds1

About 1-(5-fluorocyclohepta-1,3,6-trien-1-yl)-N-methylmethanimine

1-(5-fluorocyclohepta-1,3,6-trien-1-yl)-N-methylmethanimine (PubChem CID 143995117) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is 1-(5-fluorocyclohepta-1,3,6-trien-1-yl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(5-fluorocyclohepta-1,3,6-trien-1-yl)-N-methylmethanimine
PubChem CID143995117
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Name1-(5-fluorocyclohepta-1,3,6-trien-1-yl)-N-methylmethanimine
SMILESC/N=C/C1=CC=CC(F)C=C1
InChIInChI=1S/C9H10FN/c1-11-7-8-3-2-4-9(10)6-5-8/h2-7,9H,1H3/b11-7+
InChIKeyIZNMCTWMZLZVML-YRNVUSSQSA-N
XLogP2.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-5-methyl-2,3-dihydropyridine
CID 68083425
N,3-dimethyl-4-methylidene-6-(trifluoromethyl)octa-2,5,7-trien-1-imine
CID 90705158
(2Z,4E)-2-ethyl-4-fluorohexa-2,4-dien-1-imine
CID 118569105
N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine
CID 123408100
(3Z)-2,6-difluoro-N,4-dimethylhexa-3,5-dien-1-imine
CID 123726188
(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
(2E,4E)-3-fluoro-N-methylhepta-2,4-dien-1-imine
CID 129196363
(2E)-3-ethenyl-2-ethylidene-3-fluoro-N-methylpent-4-en-1-imine
CID 129196407
N-[(2Z)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 130413066
(E)-N-[(2E)-2-chloropenta-2,4-dienyl]-3-fluoro-2-methylidenepent-3-en-1-imine
CID 134343094
(E)-2-ethenyl-4,4,4-trifluoro-N,3-dimethylbut-2-en-1-imine
CID 134466278
(E)-N-ethyl-4,4,4-trifluoro-3-methyl-2-prop-1-en-2-ylbut-2-en-1-imine
CID 134466405

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluorocyclohepta-1,3,6-trien-1-yl)-N-methylmethanimine?
The IUPAC name of 1-(5-fluorocyclohepta-1,3,6-trien-1-yl)-N-methylmethanimine (CID 143995117) is 1-(5-fluorocyclohepta-1,3,6-trien-1-yl)-N-methylmethanimine.
What is the SMILES notation for 1-(5-fluorocyclohepta-1,3,6-trien-1-yl)-N-methylmethanimine?
The canonical SMILES for 1-(5-fluorocyclohepta-1,3,6-trien-1-yl)-N-methylmethanimine is C/N=C/C1=CC=CC(F)C=C1.
What is the InChIKey of 1-(5-fluorocyclohepta-1,3,6-trien-1-yl)-N-methylmethanimine?
The InChIKey is IZNMCTWMZLZVML-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H10FN/c1-11-7-8-3-2-4-9(10)6-5-8/h2-7,9H,1H3/b11-7+.
What are the key properties of 1-(5-fluorocyclohepta-1,3,6-trien-1-yl)-N-methylmethanimine?
1-(5-fluorocyclohepta-1,3,6-trien-1-yl)-N-methylmethanimine has a molecular weight of 151.18 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluorocyclohepta-1,3,6-trien-1-yl)-N-methylmethanimine is sourced from PubChem (CID 143995117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).