10-fluoro-5-methylideneundecane-3,6-diimine

C12H21FN2 — CID 155158153

IUPAC10-fluoro-5-methylideneundecane-3,6-diimine
SMILES[H]/N=C(\CC)CC(=C)/C(CCCC(C)F)=N/[H]
InChIInChI=1S/C12H21FN2/c1-4-11(14)8-9(2)12(15)7-5-6-10(3)13/h10,14-15H,2,4-8H2,1,3H3/b14-11+,15-12+
InChIKeyJFMKSXAYODYQPT-LCPPQYOVSA-N
MW212.31 g/mol
LogP3.91
Rot. Bonds8

About 10-fluoro-5-methylideneundecane-3,6-diimine

10-fluoro-5-methylideneundecane-3,6-diimine (PubChem CID 155158153) has the molecular formula C12H21FN2 and a molecular weight of 212.31 g/mol. Its IUPAC name is 10-fluoro-5-methylideneundecane-3,6-diimine.

Molecular Properties

Compound Name10-fluoro-5-methylideneundecane-3,6-diimine
PubChem CID155158153
Molecular FormulaC12H21FN2
Molecular Weight212.31 g/mol
Exact Mass212.17
IUPAC Name10-fluoro-5-methylideneundecane-3,6-diimine
SMILES[H]/N=C(\CC)CC(=C)/C(CCCC(C)F)=N/[H]
InChIInChI=1S/C12H21FN2/c1-4-11(14)8-9(2)12(15)7-5-6-10(3)13/h10,14-15H,2,4-8H2,1,3H3/b14-11+,15-12+
InChIKeyJFMKSXAYODYQPT-LCPPQYOVSA-N
XLogP3.91
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-fluoro-5-methylideneundecane-3,6-diimine?
The IUPAC name of 10-fluoro-5-methylideneundecane-3,6-diimine (CID 155158153) is 10-fluoro-5-methylideneundecane-3,6-diimine.
What is the SMILES notation for 10-fluoro-5-methylideneundecane-3,6-diimine?
The canonical SMILES for 10-fluoro-5-methylideneundecane-3,6-diimine is [H]/N=C(\CC)CC(=C)/C(CCCC(C)F)=N/[H].
What is the InChIKey of 10-fluoro-5-methylideneundecane-3,6-diimine?
The InChIKey is JFMKSXAYODYQPT-LCPPQYOVSA-N. The full InChI is InChI=1S/C12H21FN2/c1-4-11(14)8-9(2)12(15)7-5-6-10(3)13/h10,14-15H,2,4-8H2,1,3H3/b14-11+,15-12+.
What are the key properties of 10-fluoro-5-methylideneundecane-3,6-diimine?
10-fluoro-5-methylideneundecane-3,6-diimine has a molecular weight of 212.31 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-5-methylideneundecane-3,6-diimine is sourced from PubChem (CID 155158153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).