1-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanone

C19H23FO — CID 65298881

IUPAC1-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanone
SMILESCc1cc(C(=O)C23CC4CC(CC(C4)C2)C3)cc(C)c1F
InChIInChI=1S/C19H23FO/c1-11-3-16(4-12(2)17(11)20)18(21)19-8-13-5-14(9-19)7-15(6-13)10-19/h3-4,13-15H,5-10H2,1-2H3
InChIKeyHDICNDKLKIQMFZ-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.84
Rot. Bonds2

About 1-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanone

1-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanone (PubChem CID 65298881) has the molecular formula C19H23FO and a molecular weight of 286.39 g/mol. Its IUPAC name is 1-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name1-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanone
PubChem CID65298881
Molecular FormulaC19H23FO
Molecular Weight286.39 g/mol
Exact Mass286.17
IUPAC Name1-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanone
SMILESCc1cc(C(=O)C23CC4CC(CC(C4)C2)C3)cc(C)c1F
InChIInChI=1S/C19H23FO/c1-11-3-16(4-12(2)17(11)20)18(21)19-8-13-5-14(9-19)7-15(6-13)10-19/h3-4,13-15H,5-10H2,1-2H3
InChIKeyHDICNDKLKIQMFZ-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanone?
The IUPAC name of 1-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanone (CID 65298881) is 1-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanone.
What is the SMILES notation for 1-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanone?
The canonical SMILES for 1-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanone is Cc1cc(C(=O)C23CC4CC(CC(C4)C2)C3)cc(C)c1F.
What is the InChIKey of 1-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanone?
The InChIKey is HDICNDKLKIQMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FO/c1-11-3-16(4-12(2)17(11)20)18(21)19-8-13-5-14(9-19)7-15(6-13)10-19/h3-4,13-15H,5-10H2,1-2H3.
What are the key properties of 1-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanone?
1-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanone has a molecular weight of 286.39 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanone is sourced from PubChem (CID 65298881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).