(9R)-9-fluoro-4-methylidenedecane-2,5-diimine

C11H19FN2 — CID 155158151

IUPAC(9R)-9-fluoro-4-methylidenedecane-2,5-diimine
SMILES[H]/N=C(\C)CC(=C)/C(CCC[C@@H](C)F)=N/[H]
InChIInChI=1S/C11H19FN2/c1-8(7-10(3)13)11(14)6-4-5-9(2)12/h9,13-14H,1,4-7H2,2-3H3/b13-10+,14-11+/t9-/m1/s1
InChIKeyPZBVRHNVPURVED-SNCRNMCMSA-N
MW198.28 g/mol
LogP3.52
Rot. Bonds7

About (9R)-9-fluoro-4-methylidenedecane-2,5-diimine

(9R)-9-fluoro-4-methylidenedecane-2,5-diimine (PubChem CID 155158151) has the molecular formula C11H19FN2 and a molecular weight of 198.28 g/mol. Its IUPAC name is (9R)-9-fluoro-4-methylidenedecane-2,5-diimine.

Molecular Properties

Compound Name(9R)-9-fluoro-4-methylidenedecane-2,5-diimine
PubChem CID155158151
Molecular FormulaC11H19FN2
Molecular Weight198.28 g/mol
Exact Mass198.15
IUPAC Name(9R)-9-fluoro-4-methylidenedecane-2,5-diimine
SMILES[H]/N=C(\C)CC(=C)/C(CCC[C@@H](C)F)=N/[H]
InChIInChI=1S/C11H19FN2/c1-8(7-10(3)13)11(14)6-4-5-9(2)12/h9,13-14H,1,4-7H2,2-3H3/b13-10+,14-11+/t9-/m1/s1
InChIKeyPZBVRHNVPURVED-SNCRNMCMSA-N
XLogP3.52
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 53.52
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 (9R)-9-fluoro-4-methylidenedecane-2,5-diimine?
The IUPAC name of (9R)-9-fluoro-4-methylidenedecane-2,5-diimine (CID 155158151) is (9R)-9-fluoro-4-methylidenedecane-2,5-diimine.
What is the SMILES notation for (9R)-9-fluoro-4-methylidenedecane-2,5-diimine?
The canonical SMILES for (9R)-9-fluoro-4-methylidenedecane-2,5-diimine is [H]/N=C(\C)CC(=C)/C(CCC[C@@H](C)F)=N/[H].
What is the InChIKey of (9R)-9-fluoro-4-methylidenedecane-2,5-diimine?
The InChIKey is PZBVRHNVPURVED-SNCRNMCMSA-N. The full InChI is InChI=1S/C11H19FN2/c1-8(7-10(3)13)11(14)6-4-5-9(2)12/h9,13-14H,1,4-7H2,2-3H3/b13-10+,14-11+/t9-/m1/s1.
What are the key properties of (9R)-9-fluoro-4-methylidenedecane-2,5-diimine?
(9R)-9-fluoro-4-methylidenedecane-2,5-diimine has a molecular weight of 198.28 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-9-fluoro-4-methylidenedecane-2,5-diimine is sourced from PubChem (CID 155158151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).