3-(trifluoromethyl)adamantan-1-ol

C11H15F3O — CID 13401039

IUPAC3-(trifluoromethyl)adamantan-1-ol
SMILESOC12CC3CC(C1)CC(C(F)(F)F)(C3)C2
InChIInChI=1S/C11H15F3O/c12-11(13,14)9-2-7-1-8(3-9)5-10(15,4-7)6-9/h7-8,15H,1-6H2
InChIKeyVLFWVIJMHBDZOH-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.88
Rot. Bonds

About 3-(trifluoromethyl)adamantan-1-ol

3-(trifluoromethyl)adamantan-1-ol (PubChem CID 13401039) has the molecular formula C11H15F3O and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-(trifluoromethyl)adamantan-1-ol.

Molecular Properties

Compound Name3-(trifluoromethyl)adamantan-1-ol
PubChem CID13401039
Molecular FormulaC11H15F3O
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Name3-(trifluoromethyl)adamantan-1-ol
SMILESOC12CC3CC(C1)CC(C(F)(F)F)(C3)C2
InChIInChI=1S/C11H15F3O/c12-11(13,14)9-2-7-1-8(3-9)5-10(15,4-7)6-9/h7-8,15H,1-6H2
InChIKeyVLFWVIJMHBDZOH-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)adamantan-1-ol?
The IUPAC name of 3-(trifluoromethyl)adamantan-1-ol (CID 13401039) is 3-(trifluoromethyl)adamantan-1-ol.
What is the SMILES notation for 3-(trifluoromethyl)adamantan-1-ol?
The canonical SMILES for 3-(trifluoromethyl)adamantan-1-ol is OC12CC3CC(C1)CC(C(F)(F)F)(C3)C2.
What is the InChIKey of 3-(trifluoromethyl)adamantan-1-ol?
The InChIKey is VLFWVIJMHBDZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O/c12-11(13,14)9-2-7-1-8(3-9)5-10(15,4-7)6-9/h7-8,15H,1-6H2.
What are the key properties of 3-(trifluoromethyl)adamantan-1-ol?
3-(trifluoromethyl)adamantan-1-ol has a molecular weight of 220.23 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)adamantan-1-ol is sourced from PubChem (CID 13401039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).