1-adamantyl-(3-fluoro-4-methylphenyl)methanone

C18H21FO — CID 107128298

IUPAC1-adamantyl-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C23CC4CC(CC(C4)C2)C3)cc1F
InChIInChI=1S/C18H21FO/c1-11-2-3-15(7-16(11)19)17(20)18-8-12-4-13(9-18)6-14(5-12)10-18/h2-3,7,12-14H,4-6,8-10H2,1H3
InChIKeyYBGBJBMIFSZSOQ-UHFFFAOYSA-N
MW272.36 g/mol
LogP4.53
Rot. Bonds2

About 1-adamantyl-(3-fluoro-4-methylphenyl)methanone

1-adamantyl-(3-fluoro-4-methylphenyl)methanone (PubChem CID 107128298) has the molecular formula C18H21FO and a molecular weight of 272.36 g/mol. Its IUPAC name is 1-adamantyl-(3-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name1-adamantyl-(3-fluoro-4-methylphenyl)methanone
PubChem CID107128298
Molecular FormulaC18H21FO
Molecular Weight272.36 g/mol
Exact Mass272.16
IUPAC Name1-adamantyl-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C23CC4CC(CC(C4)C2)C3)cc1F
InChIInChI=1S/C18H21FO/c1-11-2-3-15(7-16(11)19)17(20)18-8-12-4-13(9-18)6-14(5-12)10-18/h2-3,7,12-14H,4-6,8-10H2,1H3
InChIKeyYBGBJBMIFSZSOQ-UHFFFAOYSA-N
XLogP4.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-adamantyl-(4-fluoro-3-methylphenyl)methanone
CID 62796901
1-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65298881
2-(1-adamantyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 103805242
1-adamantyl-(3,5-dimethylphenyl)methanone
CID 63409870
1-adamantyl-(6-methyl-3-pyridinyl)methanone
CID 55166588
1-adamantyl-(4-propan-2-ylphenyl)methanone
CID 43625037
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 79559413
1-adamantyl-(2-chloro-5-fluorophenyl)methanone
CID 105394220
2-(azetidin-3-yl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 107129770
1-adamantyl-(2-methylphenyl)methanone
CID 62796226
(3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanone
CID 107128300
2-(1-adamantyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 79987615

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(3-fluoro-4-methylphenyl)methanone?
The IUPAC name of 1-adamantyl-(3-fluoro-4-methylphenyl)methanone (CID 107128298) is 1-adamantyl-(3-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for 1-adamantyl-(3-fluoro-4-methylphenyl)methanone?
The canonical SMILES for 1-adamantyl-(3-fluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)C23CC4CC(CC(C4)C2)C3)cc1F.
What is the InChIKey of 1-adamantyl-(3-fluoro-4-methylphenyl)methanone?
The InChIKey is YBGBJBMIFSZSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO/c1-11-2-3-15(7-16(11)19)17(20)18-8-12-4-13(9-18)6-14(5-12)10-18/h2-3,7,12-14H,4-6,8-10H2,1H3.
What are the key properties of 1-adamantyl-(3-fluoro-4-methylphenyl)methanone?
1-adamantyl-(3-fluoro-4-methylphenyl)methanone has a molecular weight of 272.36 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(3-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 107128298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).