6-fluoro-2-methoxy-1,2,3,4-tetrahydropyridine

C6H10FNO — CID 165085450

IUPAC6-fluoro-2-methoxy-1,2,3,4-tetrahydropyridine
SMILESCOC1CCC=C(F)N1
InChIInChI=1S/C6H10FNO/c1-9-6-4-2-3-5(7)8-6/h3,6,8H,2,4H2,1H3
InChIKeyVVEUOPPSQSTQKH-UHFFFAOYSA-N
MW131.15 g/mol
LogP1.15
Rot. Bonds1

About 6-fluoro-2-methoxy-1,2,3,4-tetrahydropyridine

6-fluoro-2-methoxy-1,2,3,4-tetrahydropyridine (PubChem CID 165085450) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 6-fluoro-2-methoxy-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name6-fluoro-2-methoxy-1,2,3,4-tetrahydropyridine
PubChem CID165085450
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name6-fluoro-2-methoxy-1,2,3,4-tetrahydropyridine
SMILESCOC1CCC=C(F)N1
InChIInChI=1S/C6H10FNO/c1-9-6-4-2-3-5(7)8-6/h3,6,8H,2,4H2,1H3
InChIKeyVVEUOPPSQSTQKH-UHFFFAOYSA-N
XLogP1.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Methoxy-1,2,3,4-tetrahydropyridine
CID 55286086
6-Ethoxy-1,4,5,6-tetrahydropyridine
CID 168499778
2-Methoxy-1,2,3,4-tetrahydropyridine
CID 19046682

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methoxy-1,2,3,4-tetrahydropyridine?
The IUPAC name of 6-fluoro-2-methoxy-1,2,3,4-tetrahydropyridine (CID 165085450) is 6-fluoro-2-methoxy-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 6-fluoro-2-methoxy-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 6-fluoro-2-methoxy-1,2,3,4-tetrahydropyridine is COC1CCC=C(F)N1.
What is the InChIKey of 6-fluoro-2-methoxy-1,2,3,4-tetrahydropyridine?
The InChIKey is VVEUOPPSQSTQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c1-9-6-4-2-3-5(7)8-6/h3,6,8H,2,4H2,1H3.
What are the key properties of 6-fluoro-2-methoxy-1,2,3,4-tetrahydropyridine?
6-fluoro-2-methoxy-1,2,3,4-tetrahydropyridine has a molecular weight of 131.15 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methoxy-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 165085450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).