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

C7H10F4O2 — CID 67402858

IUPAC2,2,2-trifluoro-1-(4-fluorooxan-4-yl)ethanol
SMILESOC(C(F)(F)F)C1(F)CCOCC1
InChIInChI=1S/C7H10F4O2/c8-6(1-3-13-4-2-6)5(12)7(9,10)11/h5,12H,1-4H2
InChIKeyCHKYGSRGSXKGJX-UHFFFAOYSA-N
MW202.15 g/mol
LogP1.43
Rot. Bonds1

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

2,2,2-trifluoro-1-(4-fluorooxan-4-yl)ethanol (PubChem CID 67402858) has the molecular formula C7H10F4O2 and a molecular weight of 202.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-fluorooxan-4-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-fluorooxan-4-yl)ethanol
PubChem CID67402858
Molecular FormulaC7H10F4O2
Molecular Weight202.15 g/mol
Exact Mass202.06
IUPAC Name2,2,2-trifluoro-1-(4-fluorooxan-4-yl)ethanol
SMILESOC(C(F)(F)F)C1(F)CCOCC1
InChIInChI=1S/C7H10F4O2/c8-6(1-3-13-4-2-6)5(12)7(9,10)11/h5,12H,1-4H2
InChIKeyCHKYGSRGSXKGJX-UHFFFAOYSA-N
XLogP1.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.15
LogP ≤ 51.43
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-(4-fluorooxan-4-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(4-fluorooxan-4-yl)ethanol (CID 67402858) is 2,2,2-trifluoro-1-(4-fluorooxan-4-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-fluorooxan-4-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(4-fluorooxan-4-yl)ethanol is OC(C(F)(F)F)C1(F)CCOCC1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-fluorooxan-4-yl)ethanol?
The InChIKey is CHKYGSRGSXKGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F4O2/c8-6(1-3-13-4-2-6)5(12)7(9,10)11/h5,12H,1-4H2.
What are the key properties of 2,2,2-trifluoro-1-(4-fluorooxan-4-yl)ethanol?
2,2,2-trifluoro-1-(4-fluorooxan-4-yl)ethanol has a molecular weight of 202.15 g/mol, XLogP of 1.43, 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-(4-fluorooxan-4-yl)ethanol is sourced from PubChem (CID 67402858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).