1-cyclohexyl-2-fluoro-2H-pyridine

C11H16FN — CID 150138531

IUPAC1-cyclohexyl-2-fluoro-2H-pyridine
SMILESFC1C=CC=CN1C1CCCCC1
InChIInChI=1S/C11H16FN/c12-11-8-4-5-9-13(11)10-6-2-1-3-7-10/h4-5,8-11H,1-3,6-7H2
InChIKeyFCTQGFZAXZNDLB-UHFFFAOYSA-N
MW181.25 g/mol
LogP3.00
Rot. Bonds1

About 1-cyclohexyl-2-fluoro-2H-pyridine

1-cyclohexyl-2-fluoro-2H-pyridine (PubChem CID 150138531) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 1-cyclohexyl-2-fluoro-2H-pyridine.

Molecular Properties

Compound Name1-cyclohexyl-2-fluoro-2H-pyridine
PubChem CID150138531
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name1-cyclohexyl-2-fluoro-2H-pyridine
SMILESFC1C=CC=CN1C1CCCCC1
InChIInChI=1S/C11H16FN/c12-11-8-4-5-9-13(11)10-6-2-1-3-7-10/h4-5,8-11H,1-3,6-7H2
InChIKeyFCTQGFZAXZNDLB-UHFFFAOYSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.00
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 1-cyclohexyl-2-fluoro-2H-pyridine?
The IUPAC name of 1-cyclohexyl-2-fluoro-2H-pyridine (CID 150138531) is 1-cyclohexyl-2-fluoro-2H-pyridine.
What is the SMILES notation for 1-cyclohexyl-2-fluoro-2H-pyridine?
The canonical SMILES for 1-cyclohexyl-2-fluoro-2H-pyridine is FC1C=CC=CN1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-fluoro-2H-pyridine?
The InChIKey is FCTQGFZAXZNDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c12-11-8-4-5-9-13(11)10-6-2-1-3-7-10/h4-5,8-11H,1-3,6-7H2.
What are the key properties of 1-cyclohexyl-2-fluoro-2H-pyridine?
1-cyclohexyl-2-fluoro-2H-pyridine has a molecular weight of 181.25 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-fluoro-2H-pyridine is sourced from PubChem (CID 150138531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).