2-(6-fluoro-3-pyridinyl)cyclohexan-1-one

C11H12FNO — CID 130040579

IUPAC2-(6-fluoro-3-pyridinyl)cyclohexan-1-one
SMILESO=C1CCCCC1c1ccc(F)nc1
InChIInChI=1S/C11H12FNO/c12-11-6-5-8(7-13-11)9-3-1-2-4-10(9)14/h5-7,9H,1-4H2
InChIKeyLEMFVBREFHZHOB-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.45
Rot. Bonds1

About 2-(6-fluoro-3-pyridinyl)cyclohexan-1-one

2-(6-fluoro-3-pyridinyl)cyclohexan-1-one (PubChem CID 130040579) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-(6-fluoro-3-pyridinyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(6-fluoro-3-pyridinyl)cyclohexan-1-one
PubChem CID130040579
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name2-(6-fluoro-3-pyridinyl)cyclohexan-1-one
SMILESO=C1CCCCC1c1ccc(F)nc1
InChIInChI=1S/C11H12FNO/c12-11-6-5-8(7-13-11)9-3-1-2-4-10(9)14/h5-7,9H,1-4H2
InChIKeyLEMFVBREFHZHOB-UHFFFAOYSA-N
XLogP2.45
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-methylphenyl)cyclohexan-1-one
CID 11030573
2-(4-hydroxyphenyl)cyclohexan-1-one
CID 14548752
2-(4-fluoro-3-methylphenyl)cyclohexan-1-one
CID 21082585
2-fluoro-5-[(2S)-piperidin-2-yl]pyridine
CID 55277900
2-(4-ethoxyphenyl)cyclohexan-1-one
CID 62801107
(2S)-2-imidazo[1,2-a]pyridin-6-ylcyclohexan-1-one
CID 92982225
2-(3-fluoro-5-methylphenyl)cycloheptan-1-one
CID 79705167
2-(6-fluoro-3-pyridinyl)piperidin-4-one
CID 82401375
2-fluoro-5-(oxolan-2-yl)pyridine
CID 138978454
2-(2-methylquinolin-6-yl)cyclohexan-1-one
CID 81223748
2-[4-(4-propylphenyl)phenyl]cyclohexan-1-one
CID 22915889
2-fluoro-5-piperidin-3-ylpyridine
CID 24904338

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3-pyridinyl)cyclohexan-1-one?
The IUPAC name of 2-(6-fluoro-3-pyridinyl)cyclohexan-1-one (CID 130040579) is 2-(6-fluoro-3-pyridinyl)cyclohexan-1-one.
What is the SMILES notation for 2-(6-fluoro-3-pyridinyl)cyclohexan-1-one?
The canonical SMILES for 2-(6-fluoro-3-pyridinyl)cyclohexan-1-one is O=C1CCCCC1c1ccc(F)nc1.
What is the InChIKey of 2-(6-fluoro-3-pyridinyl)cyclohexan-1-one?
The InChIKey is LEMFVBREFHZHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c12-11-6-5-8(7-13-11)9-3-1-2-4-10(9)14/h5-7,9H,1-4H2.
What are the key properties of 2-(6-fluoro-3-pyridinyl)cyclohexan-1-one?
2-(6-fluoro-3-pyridinyl)cyclohexan-1-one has a molecular weight of 193.22 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-3-pyridinyl)cyclohexan-1-one is sourced from PubChem (CID 130040579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).