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

C8H13F3O2 — CID 67402135

IUPAC2,2,2-trifluoro-1-(4-methyloxan-4-yl)ethanol
SMILESCC1(C(O)C(F)(F)F)CCOCC1
InChIInChI=1S/C8H13F3O2/c1-7(2-4-13-5-3-7)6(12)8(9,10)11/h6,12H,2-5H2,1H3
InChIKeyUQFJWCHYTYATGB-UHFFFAOYSA-N
MW198.18 g/mol
LogP1.73
Rot. Bonds1

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

2,2,2-trifluoro-1-(4-methyloxan-4-yl)ethanol (PubChem CID 67402135) has the molecular formula C8H13F3O2 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-methyloxan-4-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-methyloxan-4-yl)ethanol
PubChem CID67402135
Molecular FormulaC8H13F3O2
Molecular Weight198.18 g/mol
Exact Mass198.09
IUPAC Name2,2,2-trifluoro-1-(4-methyloxan-4-yl)ethanol
SMILESCC1(C(O)C(F)(F)F)CCOCC1
InChIInChI=1S/C8H13F3O2/c1-7(2-4-13-5-3-7)6(12)8(9,10)11/h6,12H,2-5H2,1H3
InChIKeyUQFJWCHYTYATGB-UHFFFAOYSA-N
XLogP1.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.73
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-methyloxan-4-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(4-methyloxan-4-yl)ethanol (CID 67402135) is 2,2,2-trifluoro-1-(4-methyloxan-4-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-methyloxan-4-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(4-methyloxan-4-yl)ethanol is CC1(C(O)C(F)(F)F)CCOCC1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-methyloxan-4-yl)ethanol?
The InChIKey is UQFJWCHYTYATGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O2/c1-7(2-4-13-5-3-7)6(12)8(9,10)11/h6,12H,2-5H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(4-methyloxan-4-yl)ethanol?
2,2,2-trifluoro-1-(4-methyloxan-4-yl)ethanol has a molecular weight of 198.18 g/mol, XLogP of 1.73, 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-methyloxan-4-yl)ethanol is sourced from PubChem (CID 67402135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).