3,3-difluoro-6-(hydroxymethyl)oxane-2,4,5-triol

C6H10F2O5 — CID 58092357

IUPAC3,3-difluoro-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESOCC1OC(O)C(F)(F)C(O)C1O
InChIInChI=1S/C6H10F2O5/c7-6(8)4(11)3(10)2(1-9)13-5(6)12/h2-5,9-12H,1H2
InChIKeySHBCJQOMZTUYEL-UHFFFAOYSA-N
MW200.14 g/mol
LogP-1.95
Rot. Bonds1

About 3,3-difluoro-6-(hydroxymethyl)oxane-2,4,5-triol

3,3-difluoro-6-(hydroxymethyl)oxane-2,4,5-triol (PubChem CID 58092357) has the molecular formula C6H10F2O5 and a molecular weight of 200.14 g/mol. Its IUPAC name is 3,3-difluoro-6-(hydroxymethyl)oxane-2,4,5-triol.

Molecular Properties

Compound Name3,3-difluoro-6-(hydroxymethyl)oxane-2,4,5-triol
PubChem CID58092357
Molecular FormulaC6H10F2O5
Molecular Weight200.14 g/mol
Exact Mass200.05
IUPAC Name3,3-difluoro-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESOCC1OC(O)C(F)(F)C(O)C1O
InChIInChI=1S/C6H10F2O5/c7-6(8)4(11)3(10)2(1-9)13-5(6)12/h2-5,9-12H,1H2
InChIKeySHBCJQOMZTUYEL-UHFFFAOYSA-N
XLogP-1.95
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.14
LogP ≤ 5-1.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(4R,5R)-3,3-difluoro-5-(hydroxymethyl)oxolane-2,4-diol
CID 14057748
(2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 118961526
6-(hydroxymethyl)oxane-2,3,3,4,5-pentol
CID 22286958
(2S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,3,4,5-pentol
CID 101196422
(2R,5S,6R)-3,3,4,4-tetrafluoro-6-(hydroxymethyl)oxane-2,5-diol
CID 131865258
(3S,4R,5R,6S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,3,4,5-tetrol
CID 176884296
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(3R,4S,5S,6R)-3-(2-aminoethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 91278110
(3R,4S,5R,6R)-3-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 175255242
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-6-(hydroxymethyl)oxane-2,4,5-triol?
The IUPAC name of 3,3-difluoro-6-(hydroxymethyl)oxane-2,4,5-triol (CID 58092357) is 3,3-difluoro-6-(hydroxymethyl)oxane-2,4,5-triol.
What is the SMILES notation for 3,3-difluoro-6-(hydroxymethyl)oxane-2,4,5-triol?
The canonical SMILES for 3,3-difluoro-6-(hydroxymethyl)oxane-2,4,5-triol is OCC1OC(O)C(F)(F)C(O)C1O.
What is the InChIKey of 3,3-difluoro-6-(hydroxymethyl)oxane-2,4,5-triol?
The InChIKey is SHBCJQOMZTUYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O5/c7-6(8)4(11)3(10)2(1-9)13-5(6)12/h2-5,9-12H,1H2.
What are the key properties of 3,3-difluoro-6-(hydroxymethyl)oxane-2,4,5-triol?
3,3-difluoro-6-(hydroxymethyl)oxane-2,4,5-triol has a molecular weight of 200.14 g/mol, XLogP of -1.95, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-6-(hydroxymethyl)oxane-2,4,5-triol is sourced from PubChem (CID 58092357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).