3-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridine

C8H14FN — CID 178173220

IUPAC3-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)N1CC=CC(F)C1
InChIInChI=1S/C8H14FN/c1-7(2)10-5-3-4-8(9)6-10/h3-4,7-8H,5-6H2,1-2H3
InChIKeyYERDFPJHZKFHQD-UHFFFAOYSA-N
MW143.20 g/mol
LogP1.60
Rot. Bonds1

About 3-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridine

3-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 178173220) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is 3-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name3-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridine
PubChem CID178173220
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name3-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)N1CC=CC(F)C1
InChIInChI=1S/C8H14FN/c1-7(2)10-5-3-4-8(9)6-10/h3-4,7-8H,5-6H2,1-2H3
InChIKeyYERDFPJHZKFHQD-UHFFFAOYSA-N
XLogP1.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 51.60
H-Bond Donors ≤ 50
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-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 3-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridine (CID 178173220) is 3-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 3-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 3-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridine is CC(C)N1CC=CC(F)C1.
What is the InChIKey of 3-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is YERDFPJHZKFHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c1-7(2)10-5-3-4-8(9)6-10/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 3-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridine?
3-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 143.20 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 178173220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).