(2R,5R)-3-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)oxolane

C8H13F3O3 — CID 163887966

IUPAC(2R,5R)-3-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)oxolane
SMILESCOC[C@H]1O[C@@H](C(F)(F)F)CC1OC
InChIInChI=1S/C8H13F3O3/c1-12-4-6-5(13-2)3-7(14-6)8(9,10)11/h5-7H,3-4H2,1-2H3/t5?,6-,7-/m1/s1
InChIKeyPZASAIUGNGMAEC-JXBXZBNISA-N
MW214.18 g/mol
LogP1.37
Rot. Bonds3

About (2R,5R)-3-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)oxolane

(2R,5R)-3-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)oxolane (PubChem CID 163887966) has the molecular formula C8H13F3O3 and a molecular weight of 214.18 g/mol. Its IUPAC name is (2R,5R)-3-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name(2R,5R)-3-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)oxolane
PubChem CID163887966
Molecular FormulaC8H13F3O3
Molecular Weight214.18 g/mol
Exact Mass214.08
IUPAC Name(2R,5R)-3-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)oxolane
SMILESCOC[C@H]1O[C@@H](C(F)(F)F)CC1OC
InChIInChI=1S/C8H13F3O3/c1-12-4-6-5(13-2)3-7(14-6)8(9,10)11/h5-7H,3-4H2,1-2H3/t5?,6-,7-/m1/s1
InChIKeyPZASAIUGNGMAEC-JXBXZBNISA-N
XLogP1.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S,5S)-3,5-dimethoxy-2-(methoxymethyl)oxolane
CID 15061031
2-(methoxymethyl)-4-(trifluoromethyl)oxetane;prop-1-ene
CID 159682421
[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea
CID 59059665
2-methyl-4-(trifluoromethyl)oxetane
CID 162568381
CID 158919548
CID 158919548
CID 157325949
CID 157325949
CID 153446261
CID 153446261
(3R)-3,4,5-trimethoxy-2-(methoxymethyl)oxane
CID 122461193
(2R,3S,5S)-5-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 130763870
(2R,3S,5R)-5-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 130763871
(2S,3S,4S,5S)-3,4,5-trimethoxy-2-(methoxymethyl)oxane
CID 122576492
(2R,3R,4R,6R)-3,4-dimethoxy-2-(methoxymethyl)-6-propan-2-yloxyoxane
CID 121003650

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-3-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)oxolane?
The IUPAC name of (2R,5R)-3-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)oxolane (CID 163887966) is (2R,5R)-3-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)oxolane.
What is the SMILES notation for (2R,5R)-3-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)oxolane?
The canonical SMILES for (2R,5R)-3-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)oxolane is COC[C@H]1O[C@@H](C(F)(F)F)CC1OC.
What is the InChIKey of (2R,5R)-3-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)oxolane?
The InChIKey is PZASAIUGNGMAEC-JXBXZBNISA-N. The full InChI is InChI=1S/C8H13F3O3/c1-12-4-6-5(13-2)3-7(14-6)8(9,10)11/h5-7H,3-4H2,1-2H3/t5?,6-,7-/m1/s1.
What are the key properties of (2R,5R)-3-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)oxolane?
(2R,5R)-3-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)oxolane has a molecular weight of 214.18 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-3-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)oxolane is sourced from PubChem (CID 163887966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).