3-fluoro-5-methylidenepiperidine

C6H10FN — CID 91005006

IUPAC3-fluoro-5-methylidenepiperidine
SMILESC=C1CNCC(F)C1
InChIInChI=1S/C6H10FN/c1-5-2-6(7)4-8-3-5/h6,8H,1-4H2
InChIKeyWKXZFOHQIDBITR-UHFFFAOYSA-N
MW115.15 g/mol
LogP0.87
Rot. Bonds

About 3-fluoro-5-methylidenepiperidine

3-fluoro-5-methylidenepiperidine (PubChem CID 91005006) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is 3-fluoro-5-methylidenepiperidine.

Molecular Properties

Compound Name3-fluoro-5-methylidenepiperidine
PubChem CID91005006
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name3-fluoro-5-methylidenepiperidine
SMILESC=C1CNCC(F)C1
InChIInChI=1S/C6H10FN/c1-5-2-6(7)4-8-3-5/h6,8H,1-4H2
InChIKeyWKXZFOHQIDBITR-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 3-fluoro-5-methylidenepiperidine?
The IUPAC name of 3-fluoro-5-methylidenepiperidine (CID 91005006) is 3-fluoro-5-methylidenepiperidine.
What is the SMILES notation for 3-fluoro-5-methylidenepiperidine?
The canonical SMILES for 3-fluoro-5-methylidenepiperidine is C=C1CNCC(F)C1.
What is the InChIKey of 3-fluoro-5-methylidenepiperidine?
The InChIKey is WKXZFOHQIDBITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN/c1-5-2-6(7)4-8-3-5/h6,8H,1-4H2.
What are the key properties of 3-fluoro-5-methylidenepiperidine?
3-fluoro-5-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 3-fluoro-5-methylidenepiperidine is sourced from PubChem (CID 91005006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).