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

C7H11F3O2 — CID 89065986

IUPAC(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethanol
SMILESO[C@H](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/t6-/m1/s1
InChIKeyZDLLLYOSXAFXSK-ZCFIWIBFSA-N
MW184.16 g/mol
LogP1.34
Rot. Bonds1

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

(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethanol (PubChem CID 89065986) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethanol
PubChem CID89065986
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethanol
SMILESO[C@H](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/t6-/m1/s1
InChIKeyZDLLLYOSXAFXSK-ZCFIWIBFSA-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 (1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethanol?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethanol (CID 89065986) is (1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethanol.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethanol?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethanol is O[C@H](C1CCOCC1)C(F)(F)F.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethanol?
The InChIKey is ZDLLLYOSXAFXSK-ZCFIWIBFSA-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/t6-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethanol?
(1R)-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 (1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethanol is sourced from PubChem (CID 89065986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).