9-fluoro-4,5-dimethyl-8-methylideneundeca-5,9-dien-3-imine

C14H22FN — CID 123891038

IUPAC9-fluoro-4,5-dimethyl-8-methylideneundeca-5,9-dien-3-imine
SMILES[H]/N=C(\CC)C(C)C(C)=CCC(=C)C(F)=CC
InChIInChI=1S/C14H22FN/c1-6-13(15)11(4)9-8-10(3)12(5)14(16)7-2/h6,8,12,16H,4,7,9H2,1-3,5H3/b10-8?,13-6?,16-14+
InChIKeyJQZGKZZUGIDDIZ-DMYBXRHHSA-N
MW223.33 g/mol
LogP4.82
Rot. Bonds6

About 9-fluoro-4,5-dimethyl-8-methylideneundeca-5,9-dien-3-imine

9-fluoro-4,5-dimethyl-8-methylideneundeca-5,9-dien-3-imine (PubChem CID 123891038) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is 9-fluoro-4,5-dimethyl-8-methylideneundeca-5,9-dien-3-imine.

Molecular Properties

Compound Name9-fluoro-4,5-dimethyl-8-methylideneundeca-5,9-dien-3-imine
PubChem CID123891038
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC Name9-fluoro-4,5-dimethyl-8-methylideneundeca-5,9-dien-3-imine
SMILES[H]/N=C(\CC)C(C)C(C)=CCC(=C)C(F)=CC
InChIInChI=1S/C14H22FN/c1-6-13(15)11(4)9-8-10(3)12(5)14(16)7-2/h6,8,12,16H,4,7,9H2,1-3,5H3/b10-8?,13-6?,16-14+
InChIKeyJQZGKZZUGIDDIZ-DMYBXRHHSA-N
XLogP4.82
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 54.82
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 9-fluoro-4,5-dimethyl-8-methylideneundeca-5,9-dien-3-imine?
The IUPAC name of 9-fluoro-4,5-dimethyl-8-methylideneundeca-5,9-dien-3-imine (CID 123891038) is 9-fluoro-4,5-dimethyl-8-methylideneundeca-5,9-dien-3-imine.
What is the SMILES notation for 9-fluoro-4,5-dimethyl-8-methylideneundeca-5,9-dien-3-imine?
The canonical SMILES for 9-fluoro-4,5-dimethyl-8-methylideneundeca-5,9-dien-3-imine is [H]/N=C(\CC)C(C)C(C)=CCC(=C)C(F)=CC.
What is the InChIKey of 9-fluoro-4,5-dimethyl-8-methylideneundeca-5,9-dien-3-imine?
The InChIKey is JQZGKZZUGIDDIZ-DMYBXRHHSA-N. The full InChI is InChI=1S/C14H22FN/c1-6-13(15)11(4)9-8-10(3)12(5)14(16)7-2/h6,8,12,16H,4,7,9H2,1-3,5H3/b10-8?,13-6?,16-14+.
What are the key properties of 9-fluoro-4,5-dimethyl-8-methylideneundeca-5,9-dien-3-imine?
9-fluoro-4,5-dimethyl-8-methylideneundeca-5,9-dien-3-imine has a molecular weight of 223.33 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-4,5-dimethyl-8-methylideneundeca-5,9-dien-3-imine is sourced from PubChem (CID 123891038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).