1-(2-fluoroethyl)-3,5-dimethyl-3,6-dihydro-2H-pyridine

C9H16FN — CID 130657458

IUPAC1-(2-fluoroethyl)-3,5-dimethyl-3,6-dihydro-2H-pyridine
SMILESCC1=CC(C)CN(CCF)C1
InChIInChI=1S/C9H16FN/c1-8-5-9(2)7-11(6-8)4-3-10/h5,8H,3-4,6-7H2,1-2H3
InChIKeyZAYCHLGSOYVLHP-UHFFFAOYSA-N
MW157.23 g/mol
LogP1.85
Rot. Bonds2

About 1-(2-fluoroethyl)-3,5-dimethyl-3,6-dihydro-2H-pyridine

1-(2-fluoroethyl)-3,5-dimethyl-3,6-dihydro-2H-pyridine (PubChem CID 130657458) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3,5-dimethyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3,5-dimethyl-3,6-dihydro-2H-pyridine
PubChem CID130657458
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name1-(2-fluoroethyl)-3,5-dimethyl-3,6-dihydro-2H-pyridine
SMILESCC1=CC(C)CN(CCF)C1
InChIInChI=1S/C9H16FN/c1-8-5-9(2)7-11(6-8)4-3-10/h5,8H,3-4,6-7H2,1-2H3
InChIKeyZAYCHLGSOYVLHP-UHFFFAOYSA-N
XLogP1.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.85
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-(2-fluoroethyl)-3,5-dimethyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(2-fluoroethyl)-3,5-dimethyl-3,6-dihydro-2H-pyridine (CID 130657458) is 1-(2-fluoroethyl)-3,5-dimethyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2-fluoroethyl)-3,5-dimethyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(2-fluoroethyl)-3,5-dimethyl-3,6-dihydro-2H-pyridine is CC1=CC(C)CN(CCF)C1.
What is the InChIKey of 1-(2-fluoroethyl)-3,5-dimethyl-3,6-dihydro-2H-pyridine?
The InChIKey is ZAYCHLGSOYVLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-8-5-9(2)7-11(6-8)4-3-10/h5,8H,3-4,6-7H2,1-2H3.
What are the key properties of 1-(2-fluoroethyl)-3,5-dimethyl-3,6-dihydro-2H-pyridine?
1-(2-fluoroethyl)-3,5-dimethyl-3,6-dihydro-2H-pyridine has a molecular weight of 157.23 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3,5-dimethyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130657458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).