2-tert-butyl-6-(trifluoromethyl)oxane-3,4,5-triol

C10H17F3O4 — CID 146643726

IUPAC2-tert-butyl-6-(trifluoromethyl)oxane-3,4,5-triol
SMILESCC(C)(C)C1OC(C(F)(F)F)C(O)C(O)C1O
InChIInChI=1S/C10H17F3O4/c1-9(2,3)7-5(15)4(14)6(16)8(17-7)10(11,12)13/h4-8,14-16H,1-3H3
InChIKeyWIGUJXIKYIVHAU-UHFFFAOYSA-N
MW258.24 g/mol
LogP0.44
Rot. Bonds

About 2-tert-butyl-6-(trifluoromethyl)oxane-3,4,5-triol

2-tert-butyl-6-(trifluoromethyl)oxane-3,4,5-triol (PubChem CID 146643726) has the molecular formula C10H17F3O4 and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-tert-butyl-6-(trifluoromethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-tert-butyl-6-(trifluoromethyl)oxane-3,4,5-triol
PubChem CID146643726
Molecular FormulaC10H17F3O4
Molecular Weight258.24 g/mol
Exact Mass258.11
IUPAC Name2-tert-butyl-6-(trifluoromethyl)oxane-3,4,5-triol
SMILESCC(C)(C)C1OC(C(F)(F)F)C(O)C(O)C1O
InChIInChI=1S/C10H17F3O4/c1-9(2,3)7-5(15)4(14)6(16)8(17-7)10(11,12)13/h4-8,14-16H,1-3H3
InChIKeyWIGUJXIKYIVHAU-UHFFFAOYSA-N
XLogP0.44
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(trifluoromethyl)oxane-3,4,5-triol?
The IUPAC name of 2-tert-butyl-6-(trifluoromethyl)oxane-3,4,5-triol (CID 146643726) is 2-tert-butyl-6-(trifluoromethyl)oxane-3,4,5-triol.
What is the SMILES notation for 2-tert-butyl-6-(trifluoromethyl)oxane-3,4,5-triol?
The canonical SMILES for 2-tert-butyl-6-(trifluoromethyl)oxane-3,4,5-triol is CC(C)(C)C1OC(C(F)(F)F)C(O)C(O)C1O.
What is the InChIKey of 2-tert-butyl-6-(trifluoromethyl)oxane-3,4,5-triol?
The InChIKey is WIGUJXIKYIVHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O4/c1-9(2,3)7-5(15)4(14)6(16)8(17-7)10(11,12)13/h4-8,14-16H,1-3H3.
What are the key properties of 2-tert-butyl-6-(trifluoromethyl)oxane-3,4,5-triol?
2-tert-butyl-6-(trifluoromethyl)oxane-3,4,5-triol has a molecular weight of 258.24 g/mol, XLogP of 0.44, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(trifluoromethyl)oxane-3,4,5-triol is sourced from PubChem (CID 146643726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).