5-fluoro-4-(hydroxymethyl)adamantan-2-one

C11H15FO2 — CID 69049088

IUPAC5-fluoro-4-(hydroxymethyl)adamantan-2-one
SMILESO=C1C2CC3CC1C(CO)C(F)(C3)C2
InChIInChI=1S/C11H15FO2/c12-11-3-6-1-7(4-11)10(14)8(2-6)9(11)5-13/h6-9,13H,1-5H2
InChIKeyGUWFGRYQXVMCCO-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.32
Rot. Bonds1

About 5-fluoro-4-(hydroxymethyl)adamantan-2-one

5-fluoro-4-(hydroxymethyl)adamantan-2-one (PubChem CID 69049088) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is 5-fluoro-4-(hydroxymethyl)adamantan-2-one.

Molecular Properties

Compound Name5-fluoro-4-(hydroxymethyl)adamantan-2-one
PubChem CID69049088
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name5-fluoro-4-(hydroxymethyl)adamantan-2-one
SMILESO=C1C2CC3CC1C(CO)C(F)(C3)C2
InChIInChI=1S/C11H15FO2/c12-11-3-6-1-7(4-11)10(14)8(2-6)9(11)5-13/h6-9,13H,1-5H2
InChIKeyGUWFGRYQXVMCCO-UHFFFAOYSA-N
XLogP1.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(hydroxymethyl)adamantan-2-one?
The IUPAC name of 5-fluoro-4-(hydroxymethyl)adamantan-2-one (CID 69049088) is 5-fluoro-4-(hydroxymethyl)adamantan-2-one.
What is the SMILES notation for 5-fluoro-4-(hydroxymethyl)adamantan-2-one?
The canonical SMILES for 5-fluoro-4-(hydroxymethyl)adamantan-2-one is O=C1C2CC3CC1C(CO)C(F)(C3)C2.
What is the InChIKey of 5-fluoro-4-(hydroxymethyl)adamantan-2-one?
The InChIKey is GUWFGRYQXVMCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2/c12-11-3-6-1-7(4-11)10(14)8(2-6)9(11)5-13/h6-9,13H,1-5H2.
What are the key properties of 5-fluoro-4-(hydroxymethyl)adamantan-2-one?
5-fluoro-4-(hydroxymethyl)adamantan-2-one has a molecular weight of 198.24 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(hydroxymethyl)adamantan-2-one is sourced from PubChem (CID 69049088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).