3-fluoroadamantan-1-ol

C10H15FO — CID 13448360

IUPAC3-fluoroadamantan-1-ol
SMILESOC12CC3CC(C1)CC(F)(C3)C2
InChIInChI=1S/C10H15FO/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9/h7-8,12H,1-6H2
InChIKeyIKFPOBOOYIGIDD-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.04
Rot. Bonds

About 3-fluoroadamantan-1-ol

3-fluoroadamantan-1-ol (PubChem CID 13448360) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is 3-fluoroadamantan-1-ol.

Molecular Properties

Compound Name3-fluoroadamantan-1-ol
PubChem CID13448360
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name3-fluoroadamantan-1-ol
SMILESOC12CC3CC(C1)CC(F)(C3)C2
InChIInChI=1S/C10H15FO/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9/h7-8,12H,1-6H2
InChIKeyIKFPOBOOYIGIDD-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoroadamantan-1-ol?
The IUPAC name of 3-fluoroadamantan-1-ol (CID 13448360) is 3-fluoroadamantan-1-ol.
What is the SMILES notation for 3-fluoroadamantan-1-ol?
The canonical SMILES for 3-fluoroadamantan-1-ol is OC12CC3CC(C1)CC(F)(C3)C2.
What is the InChIKey of 3-fluoroadamantan-1-ol?
The InChIKey is IKFPOBOOYIGIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9/h7-8,12H,1-6H2.
What are the key properties of 3-fluoroadamantan-1-ol?
3-fluoroadamantan-1-ol has a molecular weight of 170.23 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoroadamantan-1-ol is sourced from PubChem (CID 13448360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).