1-adamantyl-(4-fluorophenyl)methanone

C17H19FO — CID 43159977

IUPAC1-adamantyl-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H19FO/c18-15-3-1-14(2-4-15)16(19)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2
InChIKeyGFHARFMGJQRZCX-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.22
Rot. Bonds2

About 1-adamantyl-(4-fluorophenyl)methanone

1-adamantyl-(4-fluorophenyl)methanone (PubChem CID 43159977) has the molecular formula C17H19FO and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-adamantyl-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name1-adamantyl-(4-fluorophenyl)methanone
PubChem CID43159977
Molecular FormulaC17H19FO
Molecular Weight258.34 g/mol
Exact Mass258.14
IUPAC Name1-adamantyl-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H19FO/c18-15-3-1-14(2-4-15)16(19)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2
InChIKeyGFHARFMGJQRZCX-UHFFFAOYSA-N
XLogP4.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(4-fluorophenyl)methanone?
The IUPAC name of 1-adamantyl-(4-fluorophenyl)methanone (CID 43159977) is 1-adamantyl-(4-fluorophenyl)methanone.
What is the SMILES notation for 1-adamantyl-(4-fluorophenyl)methanone?
The canonical SMILES for 1-adamantyl-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-(4-fluorophenyl)methanone?
The InChIKey is GFHARFMGJQRZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO/c18-15-3-1-14(2-4-15)16(19)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2.
What are the key properties of 1-adamantyl-(4-fluorophenyl)methanone?
1-adamantyl-(4-fluorophenyl)methanone has a molecular weight of 258.34 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(4-fluorophenyl)methanone is sourced from PubChem (CID 43159977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).