(3,5,7-trifluoro-1-adamantyl)methanol

C11H15F3O — CID 57406555

IUPAC(3,5,7-trifluoro-1-adamantyl)methanol
SMILESOCC12CC3(F)CC(F)(CC(F)(C3)C1)C2
InChIInChI=1S/C11H15F3O/c12-9-1-8(7-15)2-10(13,4-9)6-11(14,3-8)5-9/h15H,1-7H2
InChIKeyWKFIZEDOGJDNAY-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.47
Rot. Bonds1

About (3,5,7-trifluoro-1-adamantyl)methanol

(3,5,7-trifluoro-1-adamantyl)methanol (PubChem CID 57406555) has the molecular formula C11H15F3O and a molecular weight of 220.23 g/mol. Its IUPAC name is (3,5,7-trifluoro-1-adamantyl)methanol.

Molecular Properties

Compound Name(3,5,7-trifluoro-1-adamantyl)methanol
PubChem CID57406555
Molecular FormulaC11H15F3O
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Name(3,5,7-trifluoro-1-adamantyl)methanol
SMILESOCC12CC3(F)CC(F)(CC(F)(C3)C1)C2
InChIInChI=1S/C11H15F3O/c12-9-1-8(7-15)2-10(13,4-9)6-11(14,3-8)5-9/h15H,1-7H2
InChIKeyWKFIZEDOGJDNAY-UHFFFAOYSA-N
XLogP2.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,5,7-trifluoro-1-adamantyl)methanol?
The IUPAC name of (3,5,7-trifluoro-1-adamantyl)methanol (CID 57406555) is (3,5,7-trifluoro-1-adamantyl)methanol.
What is the SMILES notation for (3,5,7-trifluoro-1-adamantyl)methanol?
The canonical SMILES for (3,5,7-trifluoro-1-adamantyl)methanol is OCC12CC3(F)CC(F)(CC(F)(C3)C1)C2.
What is the InChIKey of (3,5,7-trifluoro-1-adamantyl)methanol?
The InChIKey is WKFIZEDOGJDNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O/c12-9-1-8(7-15)2-10(13,4-9)6-11(14,3-8)5-9/h15H,1-7H2.
What are the key properties of (3,5,7-trifluoro-1-adamantyl)methanol?
(3,5,7-trifluoro-1-adamantyl)methanol has a molecular weight of 220.23 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5,7-trifluoro-1-adamantyl)methanol is sourced from PubChem (CID 57406555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).