4-(methoxymethyl)-4-(trifluoromethyl)oxane

C8H13F3O2 — CID 172587999

IUPAC4-(methoxymethyl)-4-(trifluoromethyl)oxane
SMILESCOCC1(C(F)(F)F)CCOCC1
InChIInChI=1S/C8H13F3O2/c1-12-6-7(8(9,10)11)2-4-13-5-3-7/h2-6H2,1H3
InChIKeyUTMLROZTTKUIDX-UHFFFAOYSA-N
MW198.18 g/mol
LogP1.99
Rot. Bonds2

About 4-(methoxymethyl)-4-(trifluoromethyl)oxane

4-(methoxymethyl)-4-(trifluoromethyl)oxane (PubChem CID 172587999) has the molecular formula C8H13F3O2 and a molecular weight of 198.18 g/mol. Its IUPAC name is 4-(methoxymethyl)-4-(trifluoromethyl)oxane.

Molecular Properties

Compound Name4-(methoxymethyl)-4-(trifluoromethyl)oxane
PubChem CID172587999
Molecular FormulaC8H13F3O2
Molecular Weight198.18 g/mol
Exact Mass198.09
IUPAC Name4-(methoxymethyl)-4-(trifluoromethyl)oxane
SMILESCOCC1(C(F)(F)F)CCOCC1
InChIInChI=1S/C8H13F3O2/c1-12-6-7(8(9,10)11)2-4-13-5-3-7/h2-6H2,1H3
InChIKeyUTMLROZTTKUIDX-UHFFFAOYSA-N
XLogP1.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Di(1,1,2,2 tetrafluoroethyl)tetrahydro pyran
CID 129801489
CID 58450256
CID 58450256
4-Fluoro-4-(2,2,2-trifluoro-1-methoxyethyl)oxane
CID 58450265
4-(2,2,2-Trifluoro-1-methoxyethyl)oxane
CID 58450327
4-[(1S)-2,2,2-trifluoro-1-methoxyethyl]oxane
CID 58450333
4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]oxane
CID 58450338
4-(Difluoromethyl)-4-methyloxane
CID 67569542
4-Methyl-4-(2,2,2-trifluoro-1-methoxyethyl)oxane
CID 68215935
4-(1,1-Difluoroethyl)-4-methyloxane
CID 89513646
4-Methyl-4-(trifluoromethyl)oxane
CID 89951837
4-((ethylperoxy)methyl)-4-fluorotetrahydro-2H-pyran
CID 89963046
4-Propan-2-yl-4-(trifluoromethyl)oxane
CID 117860279

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-4-(trifluoromethyl)oxane?
The IUPAC name of 4-(methoxymethyl)-4-(trifluoromethyl)oxane (CID 172587999) is 4-(methoxymethyl)-4-(trifluoromethyl)oxane.
What is the SMILES notation for 4-(methoxymethyl)-4-(trifluoromethyl)oxane?
The canonical SMILES for 4-(methoxymethyl)-4-(trifluoromethyl)oxane is COCC1(C(F)(F)F)CCOCC1.
What is the InChIKey of 4-(methoxymethyl)-4-(trifluoromethyl)oxane?
The InChIKey is UTMLROZTTKUIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O2/c1-12-6-7(8(9,10)11)2-4-13-5-3-7/h2-6H2,1H3.
What are the key properties of 4-(methoxymethyl)-4-(trifluoromethyl)oxane?
4-(methoxymethyl)-4-(trifluoromethyl)oxane has a molecular weight of 198.18 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-4-(trifluoromethyl)oxane is sourced from PubChem (CID 172587999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).