(3R)-5-ethenyl-2-fluoro-3-methyl-7-methylidenenon-8-en-4-imine

C13H20FN — CID 139423709

IUPAC(3R)-5-ethenyl-2-fluoro-3-methyl-7-methylidenenon-8-en-4-imine
SMILES[H]/N=C(/C(C=C)CC(=C)C=C)[C@@H](C)C(C)F
InChIInChI=1S/C13H20FN/c1-6-9(3)8-12(7-2)13(15)10(4)11(5)14/h6-7,10-12,15H,1-3,8H2,4-5H3/b15-13+/t10-,11?,12?/m0/s1
InChIKeyFSBYMQFNSYQZET-MJHOTVLDSA-N
MW209.31 g/mol
LogP3.93
Rot. Bonds7

About (3R)-5-ethenyl-2-fluoro-3-methyl-7-methylidenenon-8-en-4-imine

(3R)-5-ethenyl-2-fluoro-3-methyl-7-methylidenenon-8-en-4-imine (PubChem CID 139423709) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is (3R)-5-ethenyl-2-fluoro-3-methyl-7-methylidenenon-8-en-4-imine.

Molecular Properties

Compound Name(3R)-5-ethenyl-2-fluoro-3-methyl-7-methylidenenon-8-en-4-imine
PubChem CID139423709
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name(3R)-5-ethenyl-2-fluoro-3-methyl-7-methylidenenon-8-en-4-imine
SMILES[H]/N=C(/C(C=C)CC(=C)C=C)[C@@H](C)C(C)F
InChIInChI=1S/C13H20FN/c1-6-9(3)8-12(7-2)13(15)10(4)11(5)14/h6-7,10-12,15H,1-3,8H2,4-5H3/b15-13+/t10-,11?,12?/m0/s1
InChIKeyFSBYMQFNSYQZET-MJHOTVLDSA-N
XLogP3.93
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-ethenyl-2-fluoro-3-methyl-7-methylidenenon-8-en-4-imine?
The IUPAC name of (3R)-5-ethenyl-2-fluoro-3-methyl-7-methylidenenon-8-en-4-imine (CID 139423709) is (3R)-5-ethenyl-2-fluoro-3-methyl-7-methylidenenon-8-en-4-imine.
What is the SMILES notation for (3R)-5-ethenyl-2-fluoro-3-methyl-7-methylidenenon-8-en-4-imine?
The canonical SMILES for (3R)-5-ethenyl-2-fluoro-3-methyl-7-methylidenenon-8-en-4-imine is [H]/N=C(/C(C=C)CC(=C)C=C)[C@@H](C)C(C)F.
What is the InChIKey of (3R)-5-ethenyl-2-fluoro-3-methyl-7-methylidenenon-8-en-4-imine?
The InChIKey is FSBYMQFNSYQZET-MJHOTVLDSA-N. The full InChI is InChI=1S/C13H20FN/c1-6-9(3)8-12(7-2)13(15)10(4)11(5)14/h6-7,10-12,15H,1-3,8H2,4-5H3/b15-13+/t10-,11?,12?/m0/s1.
What are the key properties of (3R)-5-ethenyl-2-fluoro-3-methyl-7-methylidenenon-8-en-4-imine?
(3R)-5-ethenyl-2-fluoro-3-methyl-7-methylidenenon-8-en-4-imine has a molecular weight of 209.31 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-ethenyl-2-fluoro-3-methyl-7-methylidenenon-8-en-4-imine is sourced from PubChem (CID 139423709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).