2-(1-adamantyl)-1-(3-fluoro-4-methylphenyl)ethanone

C19H23FO — CID 103805242

IUPAC2-(1-adamantyl)-1-(3-fluoro-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CC23CC4CC(CC(C4)C2)C3)cc1F
InChIInChI=1S/C19H23FO/c1-12-2-3-16(7-17(12)20)18(21)11-19-8-13-4-14(9-19)6-15(5-13)10-19/h2-3,7,13-15H,4-6,8-11H2,1H3
InChIKeyNDKBSVRWULVLEU-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.92
Rot. Bonds3

About 2-(1-adamantyl)-1-(3-fluoro-4-methylphenyl)ethanone

2-(1-adamantyl)-1-(3-fluoro-4-methylphenyl)ethanone (PubChem CID 103805242) has the molecular formula C19H23FO and a molecular weight of 286.39 g/mol. Its IUPAC name is 2-(1-adamantyl)-1-(3-fluoro-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(1-adamantyl)-1-(3-fluoro-4-methylphenyl)ethanone
PubChem CID103805242
Molecular FormulaC19H23FO
Molecular Weight286.39 g/mol
Exact Mass286.17
IUPAC Name2-(1-adamantyl)-1-(3-fluoro-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CC23CC4CC(CC(C4)C2)C3)cc1F
InChIInChI=1S/C19H23FO/c1-12-2-3-16(7-17(12)20)18(21)11-19-8-13-4-14(9-19)6-15(5-13)10-19/h2-3,7,13-15H,4-6,8-11H2,1H3
InChIKeyNDKBSVRWULVLEU-UHFFFAOYSA-N
XLogP4.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-adamantyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 79987615
1-adamantyl-(3-fluoro-4-methylphenyl)methanone
CID 107128298
2-(1-adamantyl)-1-(3,5-difluorophenyl)ethanone
CID 115736615
2-(1-adamantyl)-1-(4-iodophenyl)ethanone
CID 79988152
2-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)ethanone
CID 114963576
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 79559413
2-(azetidin-3-yl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 107129770
1-adamantyl-(4-fluoro-3-methylphenyl)methanone
CID 62796901
4-[2-(1-adamantyl)acetyl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 139145741
2-(1-adamantyl)-1-(2-amino-6-methylphenyl)ethanone
CID 14202258
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108539714
N'-[2-(1-adamantyl)acetyl]-4-(4-methylphenyl)-4-oxobutanehydrazide
CID 26854795

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1-(3-fluoro-4-methylphenyl)ethanone?
The IUPAC name of 2-(1-adamantyl)-1-(3-fluoro-4-methylphenyl)ethanone (CID 103805242) is 2-(1-adamantyl)-1-(3-fluoro-4-methylphenyl)ethanone.
What is the SMILES notation for 2-(1-adamantyl)-1-(3-fluoro-4-methylphenyl)ethanone?
The canonical SMILES for 2-(1-adamantyl)-1-(3-fluoro-4-methylphenyl)ethanone is Cc1ccc(C(=O)CC23CC4CC(CC(C4)C2)C3)cc1F.
What is the InChIKey of 2-(1-adamantyl)-1-(3-fluoro-4-methylphenyl)ethanone?
The InChIKey is NDKBSVRWULVLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FO/c1-12-2-3-16(7-17(12)20)18(21)11-19-8-13-4-14(9-19)6-15(5-13)10-19/h2-3,7,13-15H,4-6,8-11H2,1H3.
What are the key properties of 2-(1-adamantyl)-1-(3-fluoro-4-methylphenyl)ethanone?
2-(1-adamantyl)-1-(3-fluoro-4-methylphenyl)ethanone has a molecular weight of 286.39 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-1-(3-fluoro-4-methylphenyl)ethanone is sourced from PubChem (CID 103805242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).