1-ethyl-1-methylcyclohexane;1-(2-fluoro-4-pyridinyl)ethanone

C16H24FNO — CID 144683876

IUPAC1-ethyl-1-methylcyclohexane;1-(2-fluoro-4-pyridinyl)ethanone
SMILESCC(=O)c1ccnc(F)c1.CCC1(C)CCCCC1
InChIInChI=1S/C9H18.C7H6FNO/c1-3-9(2)7-5-4-6-8-9;1-5(10)6-2-3-9-7(8)4-6/h3-8H2,1-2H3;2-4H,1H3
InChIKeyCBMKSCIROOKCPF-UHFFFAOYSA-N
MW265.37 g/mol
LogP4.79
Rot. Bonds2

About 1-ethyl-1-methylcyclohexane;1-(2-fluoro-4-pyridinyl)ethanone

1-ethyl-1-methylcyclohexane;1-(2-fluoro-4-pyridinyl)ethanone (PubChem CID 144683876) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-ethyl-1-methylcyclohexane;1-(2-fluoro-4-pyridinyl)ethanone.

Molecular Properties

Compound Name1-ethyl-1-methylcyclohexane;1-(2-fluoro-4-pyridinyl)ethanone
PubChem CID144683876
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-ethyl-1-methylcyclohexane;1-(2-fluoro-4-pyridinyl)ethanone
SMILESCC(=O)c1ccnc(F)c1.CCC1(C)CCCCC1
InChIInChI=1S/C9H18.C7H6FNO/c1-3-9(2)7-5-4-6-8-9;1-5(10)6-2-3-9-7(8)4-6/h3-8H2,1-2H3;2-4H,1H3
InChIKeyCBMKSCIROOKCPF-UHFFFAOYSA-N
XLogP4.79
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.79
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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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methylcyclohexane;1-(2-fluoro-4-pyridinyl)ethanone?
The IUPAC name of 1-ethyl-1-methylcyclohexane;1-(2-fluoro-4-pyridinyl)ethanone (CID 144683876) is 1-ethyl-1-methylcyclohexane;1-(2-fluoro-4-pyridinyl)ethanone.
What is the SMILES notation for 1-ethyl-1-methylcyclohexane;1-(2-fluoro-4-pyridinyl)ethanone?
The canonical SMILES for 1-ethyl-1-methylcyclohexane;1-(2-fluoro-4-pyridinyl)ethanone is CC(=O)c1ccnc(F)c1.CCC1(C)CCCCC1.
What is the InChIKey of 1-ethyl-1-methylcyclohexane;1-(2-fluoro-4-pyridinyl)ethanone?
The InChIKey is CBMKSCIROOKCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C7H6FNO/c1-3-9(2)7-5-4-6-8-9;1-5(10)6-2-3-9-7(8)4-6/h3-8H2,1-2H3;2-4H,1H3.
What are the key properties of 1-ethyl-1-methylcyclohexane;1-(2-fluoro-4-pyridinyl)ethanone?
1-ethyl-1-methylcyclohexane;1-(2-fluoro-4-pyridinyl)ethanone has a molecular weight of 265.37 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methylcyclohexane;1-(2-fluoro-4-pyridinyl)ethanone is sourced from PubChem (CID 144683876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).