(2Z,4E,8E)-5-fluoro-6-methylidenetrideca-2,4,8-trien-7-imine

C14H20FN — CID 155049255

IUPAC(2Z,4E,8E)-5-fluoro-6-methylidenetrideca-2,4,8-trien-7-imine
SMILES[H]N=C(/C=C/CCCC)C(=C)/C(F)=C\C=C/C
InChIInChI=1S/C14H20FN/c1-4-6-8-9-11-14(16)12(3)13(15)10-7-5-2/h5,7,9-11,16H,3-4,6,8H2,1-2H3/b7-5-,11-9+,13-10+,16-14+
InChIKeyBTLIJJQQGFBANG-HKKBPEEYSA-N
MW221.32 g/mol
LogP4.74
Rot. Bonds7

About (2Z,4E,8E)-5-fluoro-6-methylidenetrideca-2,4,8-trien-7-imine

(2Z,4E,8E)-5-fluoro-6-methylidenetrideca-2,4,8-trien-7-imine (PubChem CID 155049255) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is (2Z,4E,8E)-5-fluoro-6-methylidenetrideca-2,4,8-trien-7-imine.

Molecular Properties

Compound Name(2Z,4E,8E)-5-fluoro-6-methylidenetrideca-2,4,8-trien-7-imine
PubChem CID155049255
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name(2Z,4E,8E)-5-fluoro-6-methylidenetrideca-2,4,8-trien-7-imine
SMILES[H]N=C(/C=C/CCCC)C(=C)/C(F)=C\C=C/C
InChIInChI=1S/C14H20FN/c1-4-6-8-9-11-14(16)12(3)13(15)10-7-5-2/h5,7,9-11,16H,3-4,6,8H2,1-2H3/b7-5-,11-9+,13-10+,16-14+
InChIKeyBTLIJJQQGFBANG-HKKBPEEYSA-N
XLogP4.74
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 54.74
H-Bond Donors ≤ 51
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E,8E)-5-fluoro-6-methylidenetrideca-2,4,8-trien-7-imine?
The IUPAC name of (2Z,4E,8E)-5-fluoro-6-methylidenetrideca-2,4,8-trien-7-imine (CID 155049255) is (2Z,4E,8E)-5-fluoro-6-methylidenetrideca-2,4,8-trien-7-imine.
What is the SMILES notation for (2Z,4E,8E)-5-fluoro-6-methylidenetrideca-2,4,8-trien-7-imine?
The canonical SMILES for (2Z,4E,8E)-5-fluoro-6-methylidenetrideca-2,4,8-trien-7-imine is [H]N=C(/C=C/CCCC)C(=C)/C(F)=C\C=C/C.
What is the InChIKey of (2Z,4E,8E)-5-fluoro-6-methylidenetrideca-2,4,8-trien-7-imine?
The InChIKey is BTLIJJQQGFBANG-HKKBPEEYSA-N. The full InChI is InChI=1S/C14H20FN/c1-4-6-8-9-11-14(16)12(3)13(15)10-7-5-2/h5,7,9-11,16H,3-4,6,8H2,1-2H3/b7-5-,11-9+,13-10+,16-14+.
What are the key properties of (2Z,4E,8E)-5-fluoro-6-methylidenetrideca-2,4,8-trien-7-imine?
(2Z,4E,8E)-5-fluoro-6-methylidenetrideca-2,4,8-trien-7-imine has a molecular weight of 221.32 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,8E)-5-fluoro-6-methylidenetrideca-2,4,8-trien-7-imine is sourced from PubChem (CID 155049255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).