2-fluoroadamantan-1-ol

C10H15FO — CID 69005014

IUPAC2-fluoroadamantan-1-ol
SMILESOC12CC3CC(CC(C3)C1F)C2
InChIInChI=1S/C10H15FO/c11-9-8-2-6-1-7(3-8)5-10(9,12)4-6/h6-9,12H,1-5H2
InChIKeyOOLCBLPAFYEJOQ-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.90
Rot. Bonds

About 2-fluoroadamantan-1-ol

2-fluoroadamantan-1-ol (PubChem CID 69005014) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is 2-fluoroadamantan-1-ol.

Molecular Properties

Compound Name2-fluoroadamantan-1-ol
PubChem CID69005014
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name2-fluoroadamantan-1-ol
SMILESOC12CC3CC(CC(C3)C1F)C2
InChIInChI=1S/C10H15FO/c11-9-8-2-6-1-7(3-8)5-10(9,12)4-6/h6-9,12H,1-5H2
InChIKeyOOLCBLPAFYEJOQ-UHFFFAOYSA-N
XLogP1.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroadamantan-1-ol?
The IUPAC name of 2-fluoroadamantan-1-ol (CID 69005014) is 2-fluoroadamantan-1-ol.
What is the SMILES notation for 2-fluoroadamantan-1-ol?
The canonical SMILES for 2-fluoroadamantan-1-ol is OC12CC3CC(CC(C3)C1F)C2.
What is the InChIKey of 2-fluoroadamantan-1-ol?
The InChIKey is OOLCBLPAFYEJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO/c11-9-8-2-6-1-7(3-8)5-10(9,12)4-6/h6-9,12H,1-5H2.
What are the key properties of 2-fluoroadamantan-1-ol?
2-fluoroadamantan-1-ol has a molecular weight of 170.23 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroadamantan-1-ol is sourced from PubChem (CID 69005014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).