3-[2-(trifluoromethoxy)ethyl]oxan-4-ol

C8H13F3O3 — CID 106471340

IUPAC3-[2-(trifluoromethoxy)ethyl]oxan-4-ol
SMILESOC1CCOCC1CCOC(F)(F)F
InChIInChI=1S/C8H13F3O3/c9-8(10,11)14-4-1-6-5-13-3-2-7(6)12/h6-7,12H,1-5H2
InChIKeyHXOBCGAMYBHDTH-UHFFFAOYSA-N
MW214.18 g/mol
LogP1.31
Rot. Bonds3

About 3-[2-(trifluoromethoxy)ethyl]oxan-4-ol

3-[2-(trifluoromethoxy)ethyl]oxan-4-ol (PubChem CID 106471340) has the molecular formula C8H13F3O3 and a molecular weight of 214.18 g/mol. Its IUPAC name is 3-[2-(trifluoromethoxy)ethyl]oxan-4-ol.

Molecular Properties

Compound Name3-[2-(trifluoromethoxy)ethyl]oxan-4-ol
PubChem CID106471340
Molecular FormulaC8H13F3O3
Molecular Weight214.18 g/mol
Exact Mass214.08
IUPAC Name3-[2-(trifluoromethoxy)ethyl]oxan-4-ol
SMILESOC1CCOCC1CCOC(F)(F)F
InChIInChI=1S/C8H13F3O3/c9-8(10,11)14-4-1-6-5-13-3-2-7(6)12/h6-7,12H,1-5H2
InChIKeyHXOBCGAMYBHDTH-UHFFFAOYSA-N
XLogP1.31
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(trifluoromethoxy)ethyl]oxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-Trifluoro-1-(oxan-3-yl)ethan-1-ol
CID 63739730
2,2-Difluoro-1-(oxan-3-yl)ethan-1-ol
CID 80605809
2,2,2-Trifluoro-1-(oxan-4-yl)ethan-1-ol
CID 62390560
2,2-Difluoro-1-(oxan-4-yl)ethan-1-ol
CID 80605688
(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethan-1-ol
CID 89065986
4-(1,1-Difluoropropyl)oxan-4-ol
CID 117636418
(6-(Trifluoromethyl)tetrahydro-2H-pyran-3-yl)methanol
CID 117688942
2,5-Dimethyl-6-(trifluoromethyl)oxane-3,4-diol
CID 129203833
2-(1,1,1-Trifluoropropan-2-yl)oxan-4-ol
CID 132058986
[(2S,4R)-4-fluoro-2-methyloxan-4-yl]methanol
CID 142391496
[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanol
CID 142441455
3-(Trifluoromethyl)oxan-4-ol
CID 142827024

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethoxy)ethyl]oxan-4-ol?
The IUPAC name of 3-[2-(trifluoromethoxy)ethyl]oxan-4-ol (CID 106471340) is 3-[2-(trifluoromethoxy)ethyl]oxan-4-ol.
What is the SMILES notation for 3-[2-(trifluoromethoxy)ethyl]oxan-4-ol?
The canonical SMILES for 3-[2-(trifluoromethoxy)ethyl]oxan-4-ol is OC1CCOCC1CCOC(F)(F)F.
What is the InChIKey of 3-[2-(trifluoromethoxy)ethyl]oxan-4-ol?
The InChIKey is HXOBCGAMYBHDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O3/c9-8(10,11)14-4-1-6-5-13-3-2-7(6)12/h6-7,12H,1-5H2.
What are the key properties of 3-[2-(trifluoromethoxy)ethyl]oxan-4-ol?
3-[2-(trifluoromethoxy)ethyl]oxan-4-ol has a molecular weight of 214.18 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethoxy)ethyl]oxan-4-ol is sourced from PubChem (CID 106471340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).