2,2,2-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol

C8H11F3O2 — CID 66467005

IUPAC2,2,2-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol
SMILESOC(C1CC2CCC1O2)C(F)(F)F
InChIInChI=1S/C8H11F3O2/c9-8(10,11)7(12)5-3-4-1-2-6(5)13-4/h4-7,12H,1-3H2
InChIKeyCKNUANZBSKZZAK-UHFFFAOYSA-N
MW196.17 g/mol
LogP1.48
Rot. Bonds1

About 2,2,2-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol

2,2,2-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol (PubChem CID 66467005) has the molecular formula C8H11F3O2 and a molecular weight of 196.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol
PubChem CID66467005
Molecular FormulaC8H11F3O2
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Name2,2,2-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol
SMILESOC(C1CC2CCC1O2)C(F)(F)F
InChIInChI=1S/C8H11F3O2/c9-8(10,11)7(12)5-3-4-1-2-6(5)13-4/h4-7,12H,1-3H2
InChIKeyCKNUANZBSKZZAK-UHFFFAOYSA-N
XLogP1.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol (CID 66467005) is 2,2,2-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol is OC(C1CC2CCC1O2)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol?
The InChIKey is CKNUANZBSKZZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O2/c9-8(10,11)7(12)5-3-4-1-2-6(5)13-4/h4-7,12H,1-3H2.
What are the key properties of 2,2,2-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol?
2,2,2-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol has a molecular weight of 196.17 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol is sourced from PubChem (CID 66467005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).