2-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)ethanone

C17H20FNO — CID 114963576

IUPAC2-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)ethanone
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)c1cncc(F)c1
InChIInChI=1S/C17H20FNO/c18-15-4-14(9-19-10-15)16(20)8-17-5-11-1-12(6-17)3-13(2-11)7-17/h4,9-13H,1-3,5-8H2
InChIKeyBDABISWWMKNYFZ-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.01
Rot. Bonds3

About 2-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)ethanone

2-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)ethanone (PubChem CID 114963576) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)ethanone
PubChem CID114963576
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)ethanone
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)c1cncc(F)c1
InChIInChI=1S/C17H20FNO/c18-15-4-14(9-19-10-15)16(20)8-17-5-11-1-12(6-17)3-13(2-11)7-17/h4,9-13H,1-3,5-8H2
InChIKeyBDABISWWMKNYFZ-UHFFFAOYSA-N
XLogP4.01
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantyl)-1-(3,5-difluorophenyl)ethanone
CID 115736615
2-(1-adamantyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 103805242
2-(1-adamantyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 79987615
2-chloro-1-(5-fluoro-3-pyridinyl)ethanone
CID 104786801
2-(1-adamantyl)-1-(4-iodophenyl)ethanone
CID 79988152
1-(5-fluoro-3-pyridinyl)-3-phenylpropane-1,3-dione
CID 114080622
4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-one
CID 66046590
1-(5-fluoro-3-pyridinyl)-3-methylbut-3-en-1-one
CID 105112516
1-(5-fluoro-3-pyridinyl)-3-piperidin-4-ylpropan-1-one
CID 116563479
N-[3-[2-(3-fluorophenyl)-2-oxoethyl]-1-adamantyl]pyrimidine-2-carboxamide
CID 58358596
1-(5-fluoro-3-pyridinyl)undecan-1-one
CID 105091475
N'-[2-(1-adamantyl)acetyl]-4-fluorobenzohydrazide
CID 7742285

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)ethanone?
The IUPAC name of 2-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)ethanone (CID 114963576) is 2-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)ethanone?
The canonical SMILES for 2-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)ethanone is O=C(CC12CC3CC(CC(C3)C1)C2)c1cncc(F)c1.
What is the InChIKey of 2-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)ethanone?
The InChIKey is BDABISWWMKNYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c18-15-4-14(9-19-10-15)16(20)8-17-5-11-1-12(6-17)3-13(2-11)7-17/h4,9-13H,1-3,5-8H2.
What are the key properties of 2-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)ethanone?
2-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)ethanone has a molecular weight of 273.35 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)ethanone is sourced from PubChem (CID 114963576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).