3-fluoro-4-methylidene-1-(3-methyloxetan-3-yl)piperidine

C10H16FNO — CID 156730550

IUPAC3-fluoro-4-methylidene-1-(3-methyloxetan-3-yl)piperidine
SMILESC=C1CCN(C2(C)COC2)CC1F
InChIInChI=1S/C10H16FNO/c1-8-3-4-12(5-9(8)11)10(2)6-13-7-10/h9H,1,3-7H2,2H3
InChIKeyQWMAISFUGJFOKT-UHFFFAOYSA-N
MW185.24 g/mol
LogP1.38
Rot. Bonds1

About 3-fluoro-4-methylidene-1-(3-methyloxetan-3-yl)piperidine

3-fluoro-4-methylidene-1-(3-methyloxetan-3-yl)piperidine (PubChem CID 156730550) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is 3-fluoro-4-methylidene-1-(3-methyloxetan-3-yl)piperidine.

Molecular Properties

Compound Name3-fluoro-4-methylidene-1-(3-methyloxetan-3-yl)piperidine
PubChem CID156730550
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name3-fluoro-4-methylidene-1-(3-methyloxetan-3-yl)piperidine
SMILESC=C1CCN(C2(C)COC2)CC1F
InChIInChI=1S/C10H16FNO/c1-8-3-4-12(5-9(8)11)10(2)6-13-7-10/h9H,1,3-7H2,2H3
InChIKeyQWMAISFUGJFOKT-UHFFFAOYSA-N
XLogP1.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.38
H-Bond Donors ≤ 50
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 3-fluoro-4-methylidene-1-(3-methyloxetan-3-yl)piperidine?
The IUPAC name of 3-fluoro-4-methylidene-1-(3-methyloxetan-3-yl)piperidine (CID 156730550) is 3-fluoro-4-methylidene-1-(3-methyloxetan-3-yl)piperidine.
What is the SMILES notation for 3-fluoro-4-methylidene-1-(3-methyloxetan-3-yl)piperidine?
The canonical SMILES for 3-fluoro-4-methylidene-1-(3-methyloxetan-3-yl)piperidine is C=C1CCN(C2(C)COC2)CC1F.
What is the InChIKey of 3-fluoro-4-methylidene-1-(3-methyloxetan-3-yl)piperidine?
The InChIKey is QWMAISFUGJFOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-8-3-4-12(5-9(8)11)10(2)6-13-7-10/h9H,1,3-7H2,2H3.
What are the key properties of 3-fluoro-4-methylidene-1-(3-methyloxetan-3-yl)piperidine?
3-fluoro-4-methylidene-1-(3-methyloxetan-3-yl)piperidine has a molecular weight of 185.24 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methylidene-1-(3-methyloxetan-3-yl)piperidine is sourced from PubChem (CID 156730550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).