2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol

C10H19FO3 — CID 20758656

IUPAC2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol
SMILESCC(C)(C)C1OC(CF)CC(O)C1O
InChIInChI=1S/C10H19FO3/c1-10(2,3)9-8(13)7(12)4-6(5-11)14-9/h6-9,12-13H,4-5H2,1-3H3
InChIKeyIRJYOWDVASZLIZ-UHFFFAOYSA-N
MW206.26 g/mol
LogP0.88
Rot. Bonds1

About 2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol

2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol (PubChem CID 20758656) has the molecular formula C10H19FO3 and a molecular weight of 206.26 g/mol. Its IUPAC name is 2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol.

Molecular Properties

Compound Name2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol
PubChem CID20758656
Molecular FormulaC10H19FO3
Molecular Weight206.26 g/mol
Exact Mass206.13
IUPAC Name2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol
SMILESCC(C)(C)C1OC(CF)CC(O)C1O
InChIInChI=1S/C10H19FO3/c1-10(2,3)9-8(13)7(12)4-6(5-11)14-9/h6-9,12-13H,4-5H2,1-3H3
InChIKeyIRJYOWDVASZLIZ-UHFFFAOYSA-N
XLogP0.88
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-tert-butyloxane-2,4,5-triol
CID 91219184
2-tert-butyl-6-methyloxane-3,4-diol
CID 20758663
2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol
CID 20758632
(2S,3S,5R)-2-tert-butyl-6-methyloxane-3,5-diol
CID 164829805
1,2-ditert-butylcyclopropane;2,3-ditert-butyloxirane
CID 157284508
2-(fluoromethyl)-6-methyloxan-4-ol
CID 142172461
(3R,5S,6R)-6-tert-butyl-2,5-dimethyloxan-3-ol
CID 167642620
3-tert-butylcyclobutane-1,2-diol
CID 12791413
1-tert-butyl-2-(fluoromethyl)cyclopropane
CID 176792850
(3R,6R)-6-tert-butyl-2-(hydroxymethyl)oxane-3,4-diol
CID 58716425
2-tert-butyl-6-(trifluoromethyl)oxane-3,4,5-triol
CID 146643726
5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol
CID 20758645

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol?
The IUPAC name of 2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol (CID 20758656) is 2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol.
What is the SMILES notation for 2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol?
The canonical SMILES for 2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol is CC(C)(C)C1OC(CF)CC(O)C1O.
What is the InChIKey of 2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol?
The InChIKey is IRJYOWDVASZLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO3/c1-10(2,3)9-8(13)7(12)4-6(5-11)14-9/h6-9,12-13H,4-5H2,1-3H3.
What are the key properties of 2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol?
2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol has a molecular weight of 206.26 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol is sourced from PubChem (CID 20758656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).