3-fluoro-2-methyl-5-methylidenepiperidine

C7H12FN — CID 91280837

IUPAC3-fluoro-2-methyl-5-methylidenepiperidine
SMILESC=C1CNC(C)C(F)C1
InChIInChI=1S/C7H12FN/c1-5-3-7(8)6(2)9-4-5/h6-7,9H,1,3-4H2,2H3
InChIKeyCPNXUNCHQVNITM-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.26
Rot. Bonds

About 3-fluoro-2-methyl-5-methylidenepiperidine

3-fluoro-2-methyl-5-methylidenepiperidine (PubChem CID 91280837) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 3-fluoro-2-methyl-5-methylidenepiperidine.

Molecular Properties

Compound Name3-fluoro-2-methyl-5-methylidenepiperidine
PubChem CID91280837
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name3-fluoro-2-methyl-5-methylidenepiperidine
SMILESC=C1CNC(C)C(F)C1
InChIInChI=1S/C7H12FN/c1-5-3-7(8)6(2)9-4-5/h6-7,9H,1,3-4H2,2H3
InChIKeyCPNXUNCHQVNITM-UHFFFAOYSA-N
XLogP1.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.26
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-2-methyl-5-methylidenepiperidine?
The IUPAC name of 3-fluoro-2-methyl-5-methylidenepiperidine (CID 91280837) is 3-fluoro-2-methyl-5-methylidenepiperidine.
What is the SMILES notation for 3-fluoro-2-methyl-5-methylidenepiperidine?
The canonical SMILES for 3-fluoro-2-methyl-5-methylidenepiperidine is C=C1CNC(C)C(F)C1.
What is the InChIKey of 3-fluoro-2-methyl-5-methylidenepiperidine?
The InChIKey is CPNXUNCHQVNITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-5-3-7(8)6(2)9-4-5/h6-7,9H,1,3-4H2,2H3.
What are the key properties of 3-fluoro-2-methyl-5-methylidenepiperidine?
3-fluoro-2-methyl-5-methylidenepiperidine has a molecular weight of 129.18 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-5-methylidenepiperidine is sourced from PubChem (CID 91280837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).