3-[(2R)-butan-2-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol

C11H19F3O2 — CID 177218006

IUPAC3-[(2R)-butan-2-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol
SMILESCCC(C)C1C(O)OC(C)(C(F)(F)F)C1C
InChIInChI=1S/C11H19F3O2/c1-5-6(2)8-7(3)10(4,11(12,13)14)16-9(8)15/h6-9,15H,5H2,1-4H3
InChIKeyZQCAAANZLWOTQK-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.95
Rot. Bonds2

About 3-[(2R)-butan-2-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol

3-[(2R)-butan-2-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol (PubChem CID 177218006) has the molecular formula C11H19F3O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-[(2R)-butan-2-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol.

Molecular Properties

Compound Name3-[(2R)-butan-2-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol
PubChem CID177218006
Molecular FormulaC11H19F3O2
Molecular Weight240.26 g/mol
Exact Mass240.13
IUPAC Name3-[(2R)-butan-2-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol
SMILESCCC(C)C1C(O)OC(C)(C(F)(F)F)C1C
InChIInChI=1S/C11H19F3O2/c1-5-6(2)8-7(3)10(4,11(12,13)14)16-9(8)15/h6-9,15H,5H2,1-4H3
InChIKeyZQCAAANZLWOTQK-UHFFFAOYSA-N
XLogP2.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-butan-2-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol?
The IUPAC name of 3-[(2R)-butan-2-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol (CID 177218006) is 3-[(2R)-butan-2-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol.
What is the SMILES notation for 3-[(2R)-butan-2-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol?
The canonical SMILES for 3-[(2R)-butan-2-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol is CCC(C)C1C(O)OC(C)(C(F)(F)F)C1C.
What is the InChIKey of 3-[(2R)-butan-2-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol?
The InChIKey is ZQCAAANZLWOTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O2/c1-5-6(2)8-7(3)10(4,11(12,13)14)16-9(8)15/h6-9,15H,5H2,1-4H3.
What are the key properties of 3-[(2R)-butan-2-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol?
3-[(2R)-butan-2-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol has a molecular weight of 240.26 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-butan-2-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol is sourced from PubChem (CID 177218006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).