(2R,5S,6R)-3,3,4,4-tetrafluoro-6-(hydroxymethyl)oxane-2,5-diol

C6H8F4O4 — CID 131865258

IUPAC(2R,5S,6R)-3,3,4,4-tetrafluoro-6-(hydroxymethyl)oxane-2,5-diol
SMILESOC[C@H]1O[C@@H](O)C(F)(F)C(F)(F)[C@H]1O
InChIInChI=1S/C6H8F4O4/c7-5(8)3(12)2(1-11)14-4(13)6(5,9)10/h2-4,11-13H,1H2/t2-,3+,4-/m1/s1
InChIKeyWPOYBDGMVUXNOV-FLRLBIABSA-N
MW220.12 g/mol
LogP-0.67
Rot. Bonds1

About (2R,5S,6R)-3,3,4,4-tetrafluoro-6-(hydroxymethyl)oxane-2,5-diol

(2R,5S,6R)-3,3,4,4-tetrafluoro-6-(hydroxymethyl)oxane-2,5-diol (PubChem CID 131865258) has the molecular formula C6H8F4O4 and a molecular weight of 220.12 g/mol. Its IUPAC name is (2R,5S,6R)-3,3,4,4-tetrafluoro-6-(hydroxymethyl)oxane-2,5-diol.

Molecular Properties

Compound Name(2R,5S,6R)-3,3,4,4-tetrafluoro-6-(hydroxymethyl)oxane-2,5-diol
PubChem CID131865258
Molecular FormulaC6H8F4O4
Molecular Weight220.12 g/mol
Exact Mass220.04
IUPAC Name(2R,5S,6R)-3,3,4,4-tetrafluoro-6-(hydroxymethyl)oxane-2,5-diol
SMILESOC[C@H]1O[C@@H](O)C(F)(F)C(F)(F)[C@H]1O
InChIInChI=1S/C6H8F4O4/c7-5(8)3(12)2(1-11)14-4(13)6(5,9)10/h2-4,11-13H,1H2/t2-,3+,4-/m1/s1
InChIKeyWPOYBDGMVUXNOV-FLRLBIABSA-N
XLogP-0.67
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.12
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze (2R,5S,6R)-3,3,4,4-tetrafluoro-6-(hydroxymethyl)oxane-2,5-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,5R)-3,3-difluoro-5-(hydroxymethyl)oxolane-2,4-diol
CID 14057748
(1S,4R,5R,6R)-4-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptane-1,2,5,6-tetrol
CID 91393562
3,3-difluoro-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58092357
(2S,3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 134824480
(3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 44603614
(2S,4R,5R)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 131203511
(2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 118961526
5-(hydroxymethyl)-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane-2,3,4-triol
CID 163323930
(2S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,3,4,5-pentol
CID 101196422
6-(hydroxymethyl)oxane-2,3,3,4,5-pentol
CID 22286958
CID 162602817
CID 162602817
(4R)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyloxolan-3-ol
CID 68979706

Frequently Asked Questions

What is the IUPAC name of (2R,5S,6R)-3,3,4,4-tetrafluoro-6-(hydroxymethyl)oxane-2,5-diol?
The IUPAC name of (2R,5S,6R)-3,3,4,4-tetrafluoro-6-(hydroxymethyl)oxane-2,5-diol (CID 131865258) is (2R,5S,6R)-3,3,4,4-tetrafluoro-6-(hydroxymethyl)oxane-2,5-diol.
What is the SMILES notation for (2R,5S,6R)-3,3,4,4-tetrafluoro-6-(hydroxymethyl)oxane-2,5-diol?
The canonical SMILES for (2R,5S,6R)-3,3,4,4-tetrafluoro-6-(hydroxymethyl)oxane-2,5-diol is OC[C@H]1O[C@@H](O)C(F)(F)C(F)(F)[C@H]1O.
What is the InChIKey of (2R,5S,6R)-3,3,4,4-tetrafluoro-6-(hydroxymethyl)oxane-2,5-diol?
The InChIKey is WPOYBDGMVUXNOV-FLRLBIABSA-N. The full InChI is InChI=1S/C6H8F4O4/c7-5(8)3(12)2(1-11)14-4(13)6(5,9)10/h2-4,11-13H,1H2/t2-,3+,4-/m1/s1.
What are the key properties of (2R,5S,6R)-3,3,4,4-tetrafluoro-6-(hydroxymethyl)oxane-2,5-diol?
(2R,5S,6R)-3,3,4,4-tetrafluoro-6-(hydroxymethyl)oxane-2,5-diol has a molecular weight of 220.12 g/mol, XLogP of -0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S,6R)-3,3,4,4-tetrafluoro-6-(hydroxymethyl)oxane-2,5-diol is sourced from PubChem (CID 131865258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).