2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol

C10H18F2O4 — CID 20758643

IUPAC2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol
SMILESCC(C)(C)C1OC(CO)C(F)(F)C(O)C1O
InChIInChI=1S/C10H18F2O4/c1-9(2,3)8-6(14)7(15)10(11,12)5(4-13)16-8/h5-8,13-15H,4H2,1-3H3
InChIKeyLJDSLUGMCSGFTP-UHFFFAOYSA-N
MW240.25 g/mol
LogP0.15
Rot. Bonds1

About 2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol

2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol (PubChem CID 20758643) has the molecular formula C10H18F2O4 and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol
PubChem CID20758643
Molecular FormulaC10H18F2O4
Molecular Weight240.25 g/mol
Exact Mass240.12
IUPAC Name2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol
SMILESCC(C)(C)C1OC(CO)C(F)(F)C(O)C1O
InChIInChI=1S/C10H18F2O4/c1-9(2,3)8-6(14)7(15)10(11,12)5(4-13)16-8/h5-8,13-15H,4H2,1-3H3
InChIKeyLJDSLUGMCSGFTP-UHFFFAOYSA-N
XLogP0.15
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R,4R,6R)-2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)-4-methyloxan-3-ol
CID 59065136
(3R,4R,5S,6R)-2-tert-butyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70960673
3,3-difluoro-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58092357
2-tert-butyl-5-(hydroxymethyl)-4-methyloxolan-3-ol
CID 58532026
2-tert-butyl-5-(2,3-dimethylbutan-2-yl)-6-(hydroxymethyl)oxane-3,4-diol
CID 153348400
3,3-difluoro-2-(hydroxymethyl)-6-methyloxan-4-ol
CID 142172439
2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol
CID 20758632
(4R,5R)-3,3-difluoro-5-(hydroxymethyl)oxolane-2,4-diol
CID 14057748
2-tert-butyl-6-(trifluoromethyl)oxane-3,4,5-triol
CID 146643726
(3S,4R,5R,6S)-2-tert-butyl-6-ethyloxane-3,4,5-triol
CID 70862657
(2R,4R,6S)-3,3-difluoro-2-(hydroxymethyl)-6-methoxyoxan-4-ol
CID 54763879
5-tert-butyl-6-(hydroxymethyl)oxane-2,3,4-triol
CID 131967102

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of 2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol (CID 20758643) is 2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for 2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for 2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol is CC(C)(C)C1OC(CO)C(F)(F)C(O)C1O.
What is the InChIKey of 2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is LJDSLUGMCSGFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O4/c1-9(2,3)8-6(14)7(15)10(11,12)5(4-13)16-8/h5-8,13-15H,4H2,1-3H3.
What are the key properties of 2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol?
2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 240.25 g/mol, XLogP of 0.15, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 20758643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).