2,2,2-trifluoro-1-(oxolan-2-yl)ethanol

C6H9F3O2 — CID 66467460

IUPAC2,2,2-trifluoro-1-(oxolan-2-yl)ethanol
SMILESOC(C1CCCO1)C(F)(F)F
InChIInChI=1S/C6H9F3O2/c7-6(8,9)5(10)4-2-1-3-11-4/h4-5,10H,1-3H2
InChIKeyVSJZROLQAUFUDX-UHFFFAOYSA-N
MW170.13 g/mol
LogP1.09
Rot. Bonds1

About 2,2,2-trifluoro-1-(oxolan-2-yl)ethanol

2,2,2-trifluoro-1-(oxolan-2-yl)ethanol (PubChem CID 66467460) has the molecular formula C6H9F3O2 and a molecular weight of 170.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(oxolan-2-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(oxolan-2-yl)ethanol
PubChem CID66467460
Molecular FormulaC6H9F3O2
Molecular Weight170.13 g/mol
Exact Mass170.06
IUPAC Name2,2,2-trifluoro-1-(oxolan-2-yl)ethanol
SMILESOC(C1CCCO1)C(F)(F)F
InChIInChI=1S/C6H9F3O2/c7-6(8,9)5(10)4-2-1-3-11-4/h4-5,10H,1-3H2
InChIKeyVSJZROLQAUFUDX-UHFFFAOYSA-N
XLogP1.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 51.09
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-(oxolan-2-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(oxolan-2-yl)ethanol (CID 66467460) is 2,2,2-trifluoro-1-(oxolan-2-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(oxolan-2-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(oxolan-2-yl)ethanol is OC(C1CCCO1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(oxolan-2-yl)ethanol?
The InChIKey is VSJZROLQAUFUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O2/c7-6(8,9)5(10)4-2-1-3-11-4/h4-5,10H,1-3H2.
What are the key properties of 2,2,2-trifluoro-1-(oxolan-2-yl)ethanol?
2,2,2-trifluoro-1-(oxolan-2-yl)ethanol has a molecular weight of 170.13 g/mol, XLogP of 1.09, 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-(oxolan-2-yl)ethanol is sourced from PubChem (CID 66467460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).