3-ethyl-2-(fluoromethyl)-N-methylnon-1-en-4-imine

C13H24FN — CID 143491190

IUPAC3-ethyl-2-(fluoromethyl)-N-methylnon-1-en-4-imine
SMILESC=C(CF)C(CC)/C(CCCCC)=N/C
InChIInChI=1S/C13H24FN/c1-5-7-8-9-13(15-4)12(6-2)11(3)10-14/h12H,3,5-10H2,1-2,4H3/b15-13+
InChIKeyHFISFEBTMOVCCK-FYWRMAATSA-N
MW213.34 g/mol
LogP4.19
Rot. Bonds8

About 3-ethyl-2-(fluoromethyl)-N-methylnon-1-en-4-imine

3-ethyl-2-(fluoromethyl)-N-methylnon-1-en-4-imine (PubChem CID 143491190) has the molecular formula C13H24FN and a molecular weight of 213.34 g/mol. Its IUPAC name is 3-ethyl-2-(fluoromethyl)-N-methylnon-1-en-4-imine.

Molecular Properties

Compound Name3-ethyl-2-(fluoromethyl)-N-methylnon-1-en-4-imine
PubChem CID143491190
Molecular FormulaC13H24FN
Molecular Weight213.34 g/mol
Exact Mass213.19
IUPAC Name3-ethyl-2-(fluoromethyl)-N-methylnon-1-en-4-imine
SMILESC=C(CF)C(CC)/C(CCCCC)=N/C
InChIInChI=1S/C13H24FN/c1-5-7-8-9-13(15-4)12(6-2)11(3)10-14/h12H,3,5-10H2,1-2,4H3/b15-13+
InChIKeyHFISFEBTMOVCCK-FYWRMAATSA-N
XLogP4.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1-fluoroprop-2-enyl)-N-methylcyclohexan-1-imine
CID 89186118
1-[(5S)-4-ethyl-5-fluorocyclohex-3-en-1-yl]-N-methylethanimine
CID 126545859
2-(1-Fluoroethyl)-5-(2-methylpropyl)-3,4-dihydropyridine
CID 170274335
(3R,5S)-5-fluoro-6-(fluoromethyl)-3,7-dimethyloct-7-en-4-imine
CID 173772004
6-(difluoromethyl)-N,2,4-trimethylhept-6-en-3-imine
CID 174329003
(Z)-6-ethyl-7-(fluoromethyl)-N-methylundec-8-en-5-imine
CID 143491208
3-Hexyl-2,4,5-trimethyl-3,4-dihydropyridine
CID 71140778
2-Butan-2-yl-5-methyl-3,4-dihydropyridine
CID 89004526
3-ethyl-N,5,6-trimethylhept-6-en-2-imine
CID 89033580
3-methyl-2,4-di(propan-2-yl)-3H-pyrrole
CID 89308388
4-Hexyl-2,3,5-trimethyl-3,4-dihydropyridine
CID 90075443
2,3-Dimethyl-5-pentyl-3,4-dihydropyridine
CID 90804373

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(fluoromethyl)-N-methylnon-1-en-4-imine?
The IUPAC name of 3-ethyl-2-(fluoromethyl)-N-methylnon-1-en-4-imine (CID 143491190) is 3-ethyl-2-(fluoromethyl)-N-methylnon-1-en-4-imine.
What is the SMILES notation for 3-ethyl-2-(fluoromethyl)-N-methylnon-1-en-4-imine?
The canonical SMILES for 3-ethyl-2-(fluoromethyl)-N-methylnon-1-en-4-imine is C=C(CF)C(CC)/C(CCCCC)=N/C.
What is the InChIKey of 3-ethyl-2-(fluoromethyl)-N-methylnon-1-en-4-imine?
The InChIKey is HFISFEBTMOVCCK-FYWRMAATSA-N. The full InChI is InChI=1S/C13H24FN/c1-5-7-8-9-13(15-4)12(6-2)11(3)10-14/h12H,3,5-10H2,1-2,4H3/b15-13+.
What are the key properties of 3-ethyl-2-(fluoromethyl)-N-methylnon-1-en-4-imine?
3-ethyl-2-(fluoromethyl)-N-methylnon-1-en-4-imine has a molecular weight of 213.34 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(fluoromethyl)-N-methylnon-1-en-4-imine is sourced from PubChem (CID 143491190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).