1-[2-(trifluoromethyl)oxan-4-yl]ethanol

C8H13F3O2 — CID 130546360

IUPAC1-[2-(trifluoromethyl)oxan-4-yl]ethanol
SMILESCC(O)C1CCOC(C(F)(F)F)C1
InChIInChI=1S/C8H13F3O2/c1-5(12)6-2-3-13-7(4-6)8(9,10)11/h5-7,12H,2-4H2,1H3
InChIKeyBLWRABITFNDPFZ-UHFFFAOYSA-N
MW198.18 g/mol
LogP1.72
Rot. Bonds1

About 1-[2-(trifluoromethyl)oxan-4-yl]ethanol

1-[2-(trifluoromethyl)oxan-4-yl]ethanol (PubChem CID 130546360) has the molecular formula C8H13F3O2 and a molecular weight of 198.18 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)oxan-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)oxan-4-yl]ethanol
PubChem CID130546360
Molecular FormulaC8H13F3O2
Molecular Weight198.18 g/mol
Exact Mass198.09
IUPAC Name1-[2-(trifluoromethyl)oxan-4-yl]ethanol
SMILESCC(O)C1CCOC(C(F)(F)F)C1
InChIInChI=1S/C8H13F3O2/c1-5(12)6-2-3-13-7(4-6)8(9,10)11/h5-7,12H,2-4H2,1H3
InChIKeyBLWRABITFNDPFZ-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)oxan-4-yl]ethanol?
The IUPAC name of 1-[2-(trifluoromethyl)oxan-4-yl]ethanol (CID 130546360) is 1-[2-(trifluoromethyl)oxan-4-yl]ethanol.
What is the SMILES notation for 1-[2-(trifluoromethyl)oxan-4-yl]ethanol?
The canonical SMILES for 1-[2-(trifluoromethyl)oxan-4-yl]ethanol is CC(O)C1CCOC(C(F)(F)F)C1.
What is the InChIKey of 1-[2-(trifluoromethyl)oxan-4-yl]ethanol?
The InChIKey is BLWRABITFNDPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O2/c1-5(12)6-2-3-13-7(4-6)8(9,10)11/h5-7,12H,2-4H2,1H3.
What are the key properties of 1-[2-(trifluoromethyl)oxan-4-yl]ethanol?
1-[2-(trifluoromethyl)oxan-4-yl]ethanol has a molecular weight of 198.18 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)oxan-4-yl]ethanol is sourced from PubChem (CID 130546360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).