2-(2,2,2-trifluoroethoxy)adamantane

C12H17F3O — CID 12601430

IUPAC2-(2,2,2-trifluoroethoxy)adamantane
SMILESFC(F)(F)COC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H17F3O/c13-12(14,15)6-16-11-9-2-7-1-8(4-9)5-10(11)3-7/h7-11H,1-6H2
InChIKeyZRSWGQRSAZRLLO-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.39
Rot. Bonds2

About 2-(2,2,2-trifluoroethoxy)adamantane

2-(2,2,2-trifluoroethoxy)adamantane (PubChem CID 12601430) has the molecular formula C12H17F3O and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)adamantane.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)adamantane
PubChem CID12601430
Molecular FormulaC12H17F3O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name2-(2,2,2-trifluoroethoxy)adamantane
SMILESFC(F)(F)COC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H17F3O/c13-12(14,15)6-16-11-9-2-7-1-8(4-9)5-10(11)3-7/h7-11H,1-6H2
InChIKeyZRSWGQRSAZRLLO-UHFFFAOYSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)adamantane?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)adamantane (CID 12601430) is 2-(2,2,2-trifluoroethoxy)adamantane.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)adamantane?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)adamantane is FC(F)(F)COC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)adamantane?
The InChIKey is ZRSWGQRSAZRLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3O/c13-12(14,15)6-16-11-9-2-7-1-8(4-9)5-10(11)3-7/h7-11H,1-6H2.
What are the key properties of 2-(2,2,2-trifluoroethoxy)adamantane?
2-(2,2,2-trifluoroethoxy)adamantane has a molecular weight of 234.26 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)adamantane is sourced from PubChem (CID 12601430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).