2,2,2-trifluoro-1-(oxan-4-yl)ethanol

C7H11F3O2 — CID 62390560

IUPAC2,2,2-trifluoro-1-(oxan-4-yl)ethanol
SMILESOC(C1CCOCC1)C(F)(F)F
InChIInChI=1S/C7H11F3O2/c8-7(9,10)6(11)5-1-3-12-4-2-5/h5-6,11H,1-4H2
InChIKeyZDLLLYOSXAFXSK-UHFFFAOYSA-N
MW184.16 g/mol
LogP1.34
Rot. Bonds1

About 2,2,2-trifluoro-1-(oxan-4-yl)ethanol

2,2,2-trifluoro-1-(oxan-4-yl)ethanol (PubChem CID 62390560) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(oxan-4-yl)ethanol
PubChem CID62390560
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name2,2,2-trifluoro-1-(oxan-4-yl)ethanol
SMILESOC(C1CCOCC1)C(F)(F)F
InChIInChI=1S/C7H11F3O2/c8-7(9,10)6(11)5-1-3-12-4-2-5/h5-6,11H,1-4H2
InChIKeyZDLLLYOSXAFXSK-UHFFFAOYSA-N
XLogP1.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 51.34
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-(oxan-4-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(oxan-4-yl)ethanol (CID 62390560) is 2,2,2-trifluoro-1-(oxan-4-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(oxan-4-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(oxan-4-yl)ethanol is OC(C1CCOCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(oxan-4-yl)ethanol?
The InChIKey is ZDLLLYOSXAFXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O2/c8-7(9,10)6(11)5-1-3-12-4-2-5/h5-6,11H,1-4H2.
What are the key properties of 2,2,2-trifluoro-1-(oxan-4-yl)ethanol?
2,2,2-trifluoro-1-(oxan-4-yl)ethanol has a molecular weight of 184.16 g/mol, XLogP of 1.34, 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-(oxan-4-yl)ethanol is sourced from PubChem (CID 62390560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).