1-ethyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine

C8H14FN — CID 117205572

IUPAC1-ethyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine
SMILESCCN1CCC=C(CF)C1
InChIInChI=1S/C8H14FN/c1-2-10-5-3-4-8(6-9)7-10/h4H,2-3,5-7H2,1H3
InChIKeyWCMLUZNRMNKFQW-UHFFFAOYSA-N
MW143.20 g/mol
LogP1.61
Rot. Bonds2

About 1-ethyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine

1-ethyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine (PubChem CID 117205572) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is 1-ethyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-ethyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine
PubChem CID117205572
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name1-ethyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine
SMILESCCN1CCC=C(CF)C1
InChIInChI=1S/C8H14FN/c1-2-10-5-3-4-8(6-9)7-10/h4H,2-3,5-7H2,1H3
InChIKeyWCMLUZNRMNKFQW-UHFFFAOYSA-N
XLogP1.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 51.61
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 1-ethyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-ethyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine (CID 117205572) is 1-ethyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-ethyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-ethyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine is CCN1CCC=C(CF)C1.
What is the InChIKey of 1-ethyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is WCMLUZNRMNKFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c1-2-10-5-3-4-8(6-9)7-10/h4H,2-3,5-7H2,1H3.
What are the key properties of 1-ethyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine?
1-ethyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 143.20 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 117205572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).