4-fluoro-3-methylidenepiperidine

C6H10FN — CID 91085263

IUPAC4-fluoro-3-methylidenepiperidine
SMILESC=C1CNCCC1F
InChIInChI=1S/C6H10FN/c1-5-4-8-3-2-6(5)7/h6,8H,1-4H2
InChIKeyBRTVUFOXJAYKRC-UHFFFAOYSA-N
MW115.15 g/mol
LogP0.87
Rot. Bonds

About 4-fluoro-3-methylidenepiperidine

4-fluoro-3-methylidenepiperidine (PubChem CID 91085263) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is 4-fluoro-3-methylidenepiperidine.

Molecular Properties

Compound Name4-fluoro-3-methylidenepiperidine
PubChem CID91085263
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name4-fluoro-3-methylidenepiperidine
SMILESC=C1CNCCC1F
InChIInChI=1S/C6H10FN/c1-5-4-8-3-2-6(5)7/h6,8H,1-4H2
InChIKeyBRTVUFOXJAYKRC-UHFFFAOYSA-N
XLogP0.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4-fluoro-3-methylidenepiperidine?
The IUPAC name of 4-fluoro-3-methylidenepiperidine (CID 91085263) is 4-fluoro-3-methylidenepiperidine.
What is the SMILES notation for 4-fluoro-3-methylidenepiperidine?
The canonical SMILES for 4-fluoro-3-methylidenepiperidine is C=C1CNCCC1F.
What is the InChIKey of 4-fluoro-3-methylidenepiperidine?
The InChIKey is BRTVUFOXJAYKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN/c1-5-4-8-3-2-6(5)7/h6,8H,1-4H2.
What are the key properties of 4-fluoro-3-methylidenepiperidine?
4-fluoro-3-methylidenepiperidine has a molecular weight of 115.15 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methylidenepiperidine is sourced from PubChem (CID 91085263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).