2-fluoro-3-methylidenepiperidine

C6H10FN — CID 90706861

IUPAC2-fluoro-3-methylidenepiperidine
SMILESC=C1CCCNC1F
InChIInChI=1S/C6H10FN/c1-5-3-2-4-8-6(5)7/h6,8H,1-4H2
InChIKeyPVPGKDDZANWNPG-UHFFFAOYSA-N
MW115.15 g/mol
LogP1.22
Rot. Bonds

About 2-fluoro-3-methylidenepiperidine

2-fluoro-3-methylidenepiperidine (PubChem CID 90706861) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is 2-fluoro-3-methylidenepiperidine.

Molecular Properties

Compound Name2-fluoro-3-methylidenepiperidine
PubChem CID90706861
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name2-fluoro-3-methylidenepiperidine
SMILESC=C1CCCNC1F
InChIInChI=1S/C6H10FN/c1-5-3-2-4-8-6(5)7/h6,8H,1-4H2
InChIKeyPVPGKDDZANWNPG-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methylidenepiperidine?
The IUPAC name of 2-fluoro-3-methylidenepiperidine (CID 90706861) is 2-fluoro-3-methylidenepiperidine.
What is the SMILES notation for 2-fluoro-3-methylidenepiperidine?
The canonical SMILES for 2-fluoro-3-methylidenepiperidine is C=C1CCCNC1F.
What is the InChIKey of 2-fluoro-3-methylidenepiperidine?
The InChIKey is PVPGKDDZANWNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN/c1-5-3-2-4-8-6(5)7/h6,8H,1-4H2.
What are the key properties of 2-fluoro-3-methylidenepiperidine?
2-fluoro-3-methylidenepiperidine has a molecular weight of 115.15 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methylidenepiperidine is sourced from PubChem (CID 90706861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).