5-fluoro-2-methoxy-3-methylidenepiperidine

C7H12FNO — CID 123297418

IUPAC5-fluoro-2-methoxy-3-methylidenepiperidine
SMILESC=C1CC(F)CNC1OC
InChIInChI=1S/C7H12FNO/c1-5-3-6(8)4-9-7(5)10-2/h6-7,9H,1,3-4H2,2H3
InChIKeyWQDDUFQCZDJTKE-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.85
Rot. Bonds1

About 5-fluoro-2-methoxy-3-methylidenepiperidine

5-fluoro-2-methoxy-3-methylidenepiperidine (PubChem CID 123297418) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-3-methylidenepiperidine.

Molecular Properties

Compound Name5-fluoro-2-methoxy-3-methylidenepiperidine
PubChem CID123297418
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name5-fluoro-2-methoxy-3-methylidenepiperidine
SMILESC=C1CC(F)CNC1OC
InChIInChI=1S/C7H12FNO/c1-5-3-6(8)4-9-7(5)10-2/h6-7,9H,1,3-4H2,2H3
InChIKeyWQDDUFQCZDJTKE-UHFFFAOYSA-N
XLogP0.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-3-methylidenepiperidine?
The IUPAC name of 5-fluoro-2-methoxy-3-methylidenepiperidine (CID 123297418) is 5-fluoro-2-methoxy-3-methylidenepiperidine.
What is the SMILES notation for 5-fluoro-2-methoxy-3-methylidenepiperidine?
The canonical SMILES for 5-fluoro-2-methoxy-3-methylidenepiperidine is C=C1CC(F)CNC1OC.
What is the InChIKey of 5-fluoro-2-methoxy-3-methylidenepiperidine?
The InChIKey is WQDDUFQCZDJTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-5-3-6(8)4-9-7(5)10-2/h6-7,9H,1,3-4H2,2H3.
What are the key properties of 5-fluoro-2-methoxy-3-methylidenepiperidine?
5-fluoro-2-methoxy-3-methylidenepiperidine has a molecular weight of 145.18 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-3-methylidenepiperidine is sourced from PubChem (CID 123297418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).