2-fluoro-2,5-dimethyl-4,5-dihydro-3H-pyridine

C7H12FN — CID 150025874

IUPAC2-fluoro-2,5-dimethyl-4,5-dihydro-3H-pyridine
SMILESCC1C=NC(C)(F)CC1
InChIInChI=1S/C7H12FN/c1-6-3-4-7(2,8)9-5-6/h5-6H,3-4H2,1-2H3
InChIKeyDGFNQKQQUQHNTJ-UHFFFAOYSA-N
MW129.18 g/mol
LogP2.17
Rot. Bonds

About 2-fluoro-2,5-dimethyl-4,5-dihydro-3H-pyridine

2-fluoro-2,5-dimethyl-4,5-dihydro-3H-pyridine (PubChem CID 150025874) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 2-fluoro-2,5-dimethyl-4,5-dihydro-3H-pyridine.

Molecular Properties

Compound Name2-fluoro-2,5-dimethyl-4,5-dihydro-3H-pyridine
PubChem CID150025874
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name2-fluoro-2,5-dimethyl-4,5-dihydro-3H-pyridine
SMILESCC1C=NC(C)(F)CC1
InChIInChI=1S/C7H12FN/c1-6-3-4-7(2,8)9-5-6/h5-6H,3-4H2,1-2H3
InChIKeyDGFNQKQQUQHNTJ-UHFFFAOYSA-N
XLogP2.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2,5-dimethyl-4,5-dihydro-3H-pyridine?
The IUPAC name of 2-fluoro-2,5-dimethyl-4,5-dihydro-3H-pyridine (CID 150025874) is 2-fluoro-2,5-dimethyl-4,5-dihydro-3H-pyridine.
What is the SMILES notation for 2-fluoro-2,5-dimethyl-4,5-dihydro-3H-pyridine?
The canonical SMILES for 2-fluoro-2,5-dimethyl-4,5-dihydro-3H-pyridine is CC1C=NC(C)(F)CC1.
What is the InChIKey of 2-fluoro-2,5-dimethyl-4,5-dihydro-3H-pyridine?
The InChIKey is DGFNQKQQUQHNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-6-3-4-7(2,8)9-5-6/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-fluoro-2,5-dimethyl-4,5-dihydro-3H-pyridine?
2-fluoro-2,5-dimethyl-4,5-dihydro-3H-pyridine has a molecular weight of 129.18 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2,5-dimethyl-4,5-dihydro-3H-pyridine is sourced from PubChem (CID 150025874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).