(2R,5R)-2,5-dimethyl-5-(trifluoromethyl)oxane

C8H13F3O — CID 130333327

IUPAC(2R,5R)-2,5-dimethyl-5-(trifluoromethyl)oxane
SMILESC[C@@H]1CC[C@@](C)(C(F)(F)F)CO1
InChIInChI=1S/C8H13F3O/c1-6-3-4-7(2,5-12-6)8(9,10)11/h6H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyUOQLZVTUFIZLTN-RNFRBKRXSA-N
MW182.19 g/mol
LogP2.75
Rot. Bonds

About (2R,5R)-2,5-dimethyl-5-(trifluoromethyl)oxane

(2R,5R)-2,5-dimethyl-5-(trifluoromethyl)oxane (PubChem CID 130333327) has the molecular formula C8H13F3O and a molecular weight of 182.19 g/mol. Its IUPAC name is (2R,5R)-2,5-dimethyl-5-(trifluoromethyl)oxane.

Molecular Properties

Compound Name(2R,5R)-2,5-dimethyl-5-(trifluoromethyl)oxane
PubChem CID130333327
Molecular FormulaC8H13F3O
Molecular Weight182.19 g/mol
Exact Mass182.09
IUPAC Name(2R,5R)-2,5-dimethyl-5-(trifluoromethyl)oxane
SMILESC[C@@H]1CC[C@@](C)(C(F)(F)F)CO1
InChIInChI=1S/C8H13F3O/c1-6-3-4-7(2,5-12-6)8(9,10)11/h6H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyUOQLZVTUFIZLTN-RNFRBKRXSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2,5-dimethyl-5-(trifluoromethyl)oxane?
The IUPAC name of (2R,5R)-2,5-dimethyl-5-(trifluoromethyl)oxane (CID 130333327) is (2R,5R)-2,5-dimethyl-5-(trifluoromethyl)oxane.
What is the SMILES notation for (2R,5R)-2,5-dimethyl-5-(trifluoromethyl)oxane?
The canonical SMILES for (2R,5R)-2,5-dimethyl-5-(trifluoromethyl)oxane is C[C@@H]1CC[C@@](C)(C(F)(F)F)CO1.
What is the InChIKey of (2R,5R)-2,5-dimethyl-5-(trifluoromethyl)oxane?
The InChIKey is UOQLZVTUFIZLTN-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H13F3O/c1-6-3-4-7(2,5-12-6)8(9,10)11/h6H,3-5H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of (2R,5R)-2,5-dimethyl-5-(trifluoromethyl)oxane?
(2R,5R)-2,5-dimethyl-5-(trifluoromethyl)oxane has a molecular weight of 182.19 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2,5-dimethyl-5-(trifluoromethyl)oxane is sourced from PubChem (CID 130333327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).