1-(1-adamantyl)-2-fluoroethanone

C12H17FO — CID 4015721

IUPAC1-(1-adamantyl)-2-fluoroethanone
SMILESO=C(CF)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H17FO/c13-7-11(14)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2
InChIKeyVVOORFGWLUWDLI-UHFFFAOYSA-N
MW196.26 g/mol
LogP2.74
Rot. Bonds2

About 1-(1-adamantyl)-2-fluoroethanone

1-(1-adamantyl)-2-fluoroethanone (PubChem CID 4015721) has the molecular formula C12H17FO and a molecular weight of 196.26 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-fluoroethanone.

Molecular Properties

Compound Name1-(1-adamantyl)-2-fluoroethanone
PubChem CID4015721
Molecular FormulaC12H17FO
Molecular Weight196.26 g/mol
Exact Mass196.13
IUPAC Name1-(1-adamantyl)-2-fluoroethanone
SMILESO=C(CF)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H17FO/c13-7-11(14)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2
InChIKeyVVOORFGWLUWDLI-UHFFFAOYSA-N
XLogP2.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(1-adamantyl)-2-fluoroethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-fluoroethanone?
The IUPAC name of 1-(1-adamantyl)-2-fluoroethanone (CID 4015721) is 1-(1-adamantyl)-2-fluoroethanone.
What is the SMILES notation for 1-(1-adamantyl)-2-fluoroethanone?
The canonical SMILES for 1-(1-adamantyl)-2-fluoroethanone is O=C(CF)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-fluoroethanone?
The InChIKey is VVOORFGWLUWDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c13-7-11(14)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2.
What are the key properties of 1-(1-adamantyl)-2-fluoroethanone?
1-(1-adamantyl)-2-fluoroethanone has a molecular weight of 196.26 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-fluoroethanone is sourced from PubChem (CID 4015721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).