(10S)-10-fluoro-2-methyl-5-methylideneundecane-3,6-diimine

C13H23FN2 — CID 155158155

IUPAC(10S)-10-fluoro-2-methyl-5-methylideneundecane-3,6-diimine
SMILES[H]/N=C(/CC(=C)/C(CCC[C@H](C)F)=N/[H])C(C)C
InChIInChI=1S/C13H23FN2/c1-9(2)13(16)8-10(3)12(15)7-5-6-11(4)14/h9,11,15-16H,3,5-8H2,1-2,4H3/b15-12+,16-13-/t11-/m0/s1
InChIKeyMFIXIYQQZHGTAR-LHAJCTJOSA-N
MW226.34 g/mol
LogP4.16
Rot. Bonds8

About (10S)-10-fluoro-2-methyl-5-methylideneundecane-3,6-diimine

(10S)-10-fluoro-2-methyl-5-methylideneundecane-3,6-diimine (PubChem CID 155158155) has the molecular formula C13H23FN2 and a molecular weight of 226.34 g/mol. Its IUPAC name is (10S)-10-fluoro-2-methyl-5-methylideneundecane-3,6-diimine.

Molecular Properties

Compound Name(10S)-10-fluoro-2-methyl-5-methylideneundecane-3,6-diimine
PubChem CID155158155
Molecular FormulaC13H23FN2
Molecular Weight226.34 g/mol
Exact Mass226.18
IUPAC Name(10S)-10-fluoro-2-methyl-5-methylideneundecane-3,6-diimine
SMILES[H]/N=C(/CC(=C)/C(CCC[C@H](C)F)=N/[H])C(C)C
InChIInChI=1S/C13H23FN2/c1-9(2)13(16)8-10(3)12(15)7-5-6-11(4)14/h9,11,15-16H,3,5-8H2,1-2,4H3/b15-12+,16-13-/t11-/m0/s1
InChIKeyMFIXIYQQZHGTAR-LHAJCTJOSA-N
XLogP4.16
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 54.16
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 (10S)-10-fluoro-2-methyl-5-methylideneundecane-3,6-diimine?
The IUPAC name of (10S)-10-fluoro-2-methyl-5-methylideneundecane-3,6-diimine (CID 155158155) is (10S)-10-fluoro-2-methyl-5-methylideneundecane-3,6-diimine.
What is the SMILES notation for (10S)-10-fluoro-2-methyl-5-methylideneundecane-3,6-diimine?
The canonical SMILES for (10S)-10-fluoro-2-methyl-5-methylideneundecane-3,6-diimine is [H]/N=C(/CC(=C)/C(CCC[C@H](C)F)=N/[H])C(C)C.
What is the InChIKey of (10S)-10-fluoro-2-methyl-5-methylideneundecane-3,6-diimine?
The InChIKey is MFIXIYQQZHGTAR-LHAJCTJOSA-N. The full InChI is InChI=1S/C13H23FN2/c1-9(2)13(16)8-10(3)12(15)7-5-6-11(4)14/h9,11,15-16H,3,5-8H2,1-2,4H3/b15-12+,16-13-/t11-/m0/s1.
What are the key properties of (10S)-10-fluoro-2-methyl-5-methylideneundecane-3,6-diimine?
(10S)-10-fluoro-2-methyl-5-methylideneundecane-3,6-diimine has a molecular weight of 226.34 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-10-fluoro-2-methyl-5-methylideneundecane-3,6-diimine is sourced from PubChem (CID 155158155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).