1-(3,3-difluorocyclohexyl)-2-fluoro-2H-pyridine

C11H14F3N — CID 151221885

IUPAC1-(3,3-difluorocyclohexyl)-2-fluoro-2H-pyridine
SMILESFC1C=CC=CN1C1CCCC(F)(F)C1
InChIInChI=1S/C11H14F3N/c12-10-5-1-2-7-15(10)9-4-3-6-11(13,14)8-9/h1-2,5,7,9-10H,3-4,6,8H2
InChIKeyNMLSNFJRNZOYSK-UHFFFAOYSA-N
MW217.23 g/mol
LogP3.25
Rot. Bonds1

About 1-(3,3-difluorocyclohexyl)-2-fluoro-2H-pyridine

1-(3,3-difluorocyclohexyl)-2-fluoro-2H-pyridine (PubChem CID 151221885) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is 1-(3,3-difluorocyclohexyl)-2-fluoro-2H-pyridine.

Molecular Properties

Compound Name1-(3,3-difluorocyclohexyl)-2-fluoro-2H-pyridine
PubChem CID151221885
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name1-(3,3-difluorocyclohexyl)-2-fluoro-2H-pyridine
SMILESFC1C=CC=CN1C1CCCC(F)(F)C1
InChIInChI=1S/C11H14F3N/c12-10-5-1-2-7-15(10)9-4-3-6-11(13,14)8-9/h1-2,5,7,9-10H,3-4,6,8H2
InChIKeyNMLSNFJRNZOYSK-UHFFFAOYSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3,3-difluorocyclohexyl)-2-fluoro-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclohexyl)-2-fluoro-2H-pyridine?
The IUPAC name of 1-(3,3-difluorocyclohexyl)-2-fluoro-2H-pyridine (CID 151221885) is 1-(3,3-difluorocyclohexyl)-2-fluoro-2H-pyridine.
What is the SMILES notation for 1-(3,3-difluorocyclohexyl)-2-fluoro-2H-pyridine?
The canonical SMILES for 1-(3,3-difluorocyclohexyl)-2-fluoro-2H-pyridine is FC1C=CC=CN1C1CCCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclohexyl)-2-fluoro-2H-pyridine?
The InChIKey is NMLSNFJRNZOYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c12-10-5-1-2-7-15(10)9-4-3-6-11(13,14)8-9/h1-2,5,7,9-10H,3-4,6,8H2.
What are the key properties of 1-(3,3-difluorocyclohexyl)-2-fluoro-2H-pyridine?
1-(3,3-difluorocyclohexyl)-2-fluoro-2H-pyridine has a molecular weight of 217.23 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclohexyl)-2-fluoro-2H-pyridine is sourced from PubChem (CID 151221885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).