5-fluoroadamantan-2-one

C10H13FO — CID 12653455

IUPAC5-fluoroadamantan-2-one
SMILESO=C1C2CC3CC1CC(F)(C3)C2
InChIInChI=1S/C10H13FO/c11-10-3-6-1-7(4-10)9(12)8(2-6)5-10/h6-8H,1-5H2
InChIKeyZBDVRJNXUKDRAZ-UHFFFAOYSA-N
MW168.21 g/mol
LogP2.10
Rot. Bonds

About 5-fluoroadamantan-2-one

5-fluoroadamantan-2-one (PubChem CID 12653455) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is 5-fluoroadamantan-2-one.

Molecular Properties

Compound Name5-fluoroadamantan-2-one
PubChem CID12653455
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name5-fluoroadamantan-2-one
SMILESO=C1C2CC3CC1CC(F)(C3)C2
InChIInChI=1S/C10H13FO/c11-10-3-6-1-7(4-10)9(12)8(2-6)5-10/h6-8H,1-5H2
InChIKeyZBDVRJNXUKDRAZ-UHFFFAOYSA-N
XLogP2.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoroadamantan-2-one?
The IUPAC name of 5-fluoroadamantan-2-one (CID 12653455) is 5-fluoroadamantan-2-one.
What is the SMILES notation for 5-fluoroadamantan-2-one?
The canonical SMILES for 5-fluoroadamantan-2-one is O=C1C2CC3CC1CC(F)(C3)C2.
What is the InChIKey of 5-fluoroadamantan-2-one?
The InChIKey is ZBDVRJNXUKDRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO/c11-10-3-6-1-7(4-10)9(12)8(2-6)5-10/h6-8H,1-5H2.
What are the key properties of 5-fluoroadamantan-2-one?
5-fluoroadamantan-2-one has a molecular weight of 168.21 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoroadamantan-2-one is sourced from PubChem (CID 12653455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).