9-fluoro-5,7-dimethyldodeca-7,9-dien-4-imine

C14H24FN — CID 123799788

IUPAC9-fluoro-5,7-dimethyldodeca-7,9-dien-4-imine
SMILES[H]/N=C(\CCC)C(C)CC(C)=CC(F)=CCC
InChIInChI=1S/C14H24FN/c1-5-7-13(15)10-11(3)9-12(4)14(16)8-6-2/h7,10,12,16H,5-6,8-9H2,1-4H3/b11-10?,13-7?,16-14+
InChIKeyOXQHWSOQEAXKKR-JPNODBDPSA-N
MW225.35 g/mol
LogP5.04
Rot. Bonds7

About 9-fluoro-5,7-dimethyldodeca-7,9-dien-4-imine

9-fluoro-5,7-dimethyldodeca-7,9-dien-4-imine (PubChem CID 123799788) has the molecular formula C14H24FN and a molecular weight of 225.35 g/mol. Its IUPAC name is 9-fluoro-5,7-dimethyldodeca-7,9-dien-4-imine.

Molecular Properties

Compound Name9-fluoro-5,7-dimethyldodeca-7,9-dien-4-imine
PubChem CID123799788
Molecular FormulaC14H24FN
Molecular Weight225.35 g/mol
Exact Mass225.19
IUPAC Name9-fluoro-5,7-dimethyldodeca-7,9-dien-4-imine
SMILES[H]/N=C(\CCC)C(C)CC(C)=CC(F)=CCC
InChIInChI=1S/C14H24FN/c1-5-7-13(15)10-11(3)9-12(4)14(16)8-6-2/h7,10,12,16H,5-6,8-9H2,1-4H3/b11-10?,13-7?,16-14+
InChIKeyOXQHWSOQEAXKKR-JPNODBDPSA-N
XLogP5.04
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500225.35
LogP ≤ 55.04
H-Bond Donors ≤ 51
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

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CID 91340707
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CID 91463138
5-Methyl-4-(trifluoromethyl)cyclohex-3-en-1-imine
CID 123793559
(5Z,7E)-8-fluoro-3-methylnona-5,7-dien-4-imine
CID 123873008
9-Fluoro-4,5-dimethyl-8-methylideneundeca-5,9-dien-3-imine
CID 123891038
(3R)-5-ethenyl-2-fluoro-3-methyl-7-methylidenenon-8-en-4-imine
CID 139423709
1-(4-Fluorocyclohexa-2,4-dien-1-yl)butan-1-imine
CID 143588132
(6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine
CID 153399956
(3Z)-3-ethylidene-1-fluoro-4-methylideneheptan-2-imine
CID 154987810
(E)-6-fluoro-3-(2-methylpropyl)-5-propylnon-6-en-2-imine
CID 163433107
3-[(3S)-4-(3-fluoroprop-1-en-2-yl)-3-methyl-5-(3-methylidenecyclopenten-1-yl)cyclopenta-1,4-dien-1-yl]butan-2-imine
CID 166989027
(6E,8Z)-7-fluoro-2,2,8-trimethylundeca-6,8-dien-4-imine
CID 169927594

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-5,7-dimethyldodeca-7,9-dien-4-imine?
The IUPAC name of 9-fluoro-5,7-dimethyldodeca-7,9-dien-4-imine (CID 123799788) is 9-fluoro-5,7-dimethyldodeca-7,9-dien-4-imine.
What is the SMILES notation for 9-fluoro-5,7-dimethyldodeca-7,9-dien-4-imine?
The canonical SMILES for 9-fluoro-5,7-dimethyldodeca-7,9-dien-4-imine is [H]/N=C(\CCC)C(C)CC(C)=CC(F)=CCC.
What is the InChIKey of 9-fluoro-5,7-dimethyldodeca-7,9-dien-4-imine?
The InChIKey is OXQHWSOQEAXKKR-JPNODBDPSA-N. The full InChI is InChI=1S/C14H24FN/c1-5-7-13(15)10-11(3)9-12(4)14(16)8-6-2/h7,10,12,16H,5-6,8-9H2,1-4H3/b11-10?,13-7?,16-14+.
What are the key properties of 9-fluoro-5,7-dimethyldodeca-7,9-dien-4-imine?
9-fluoro-5,7-dimethyldodeca-7,9-dien-4-imine has a molecular weight of 225.35 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-5,7-dimethyldodeca-7,9-dien-4-imine is sourced from PubChem (CID 123799788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).