(3R,4R,5R,6R)-5-fluoro-6-(fluoromethyl)oxane-2,3,4-triol

C6H10F2O4 — CID 55219287

IUPAC(3R,4R,5R,6R)-5-fluoro-6-(fluoromethyl)oxane-2,3,4-triol
SMILESOC1O[C@H](CF)[C@H](F)[C@H](O)[C@H]1O
InChIInChI=1S/C6H10F2O4/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,9-11H,1H2/t2-,3+,4+,5-,6?/m1/s1
InChIKeyQTIKECPWBXHCKM-SVZMEOIVSA-N
MW184.14 g/mol
LogP-1.27
Rot. Bonds1

About (3R,4R,5R,6R)-5-fluoro-6-(fluoromethyl)oxane-2,3,4-triol

(3R,4R,5R,6R)-5-fluoro-6-(fluoromethyl)oxane-2,3,4-triol (PubChem CID 55219287) has the molecular formula C6H10F2O4 and a molecular weight of 184.14 g/mol. Its IUPAC name is (3R,4R,5R,6R)-5-fluoro-6-(fluoromethyl)oxane-2,3,4-triol.

Molecular Properties

Compound Name(3R,4R,5R,6R)-5-fluoro-6-(fluoromethyl)oxane-2,3,4-triol
PubChem CID55219287
Molecular FormulaC6H10F2O4
Molecular Weight184.14 g/mol
Exact Mass184.05
IUPAC Name(3R,4R,5R,6R)-5-fluoro-6-(fluoromethyl)oxane-2,3,4-triol
SMILESOC1O[C@H](CF)[C@H](F)[C@H](O)[C@H]1O
InChIInChI=1S/C6H10F2O4/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,9-11H,1H2/t2-,3+,4+,5-,6?/m1/s1
InChIKeyQTIKECPWBXHCKM-SVZMEOIVSA-N
XLogP-1.27
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.14
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,4R,5S,6S)-5-fluoro-6-(hydroxymethyl)oxane-2,3,4-triol
CID 51398012
(2R,3R,4R,5S,6R)-6-(fluoromethyl)oxane-2,3,4,5-tetrol
CID 51398010
(2R,3R,4S,5R,6S)-6-(fluoromethyl)oxane-2,3,4,5-tetrol
CID 7191877
(2S,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolane-2,3-diol
CID 66649258
(3S,4S,5R)-4-(18F)fluoro-5-(hydroxymethyl)oxolane-2,3-diol
CID 71475417
(2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,4,5-triol
CID 5288324
(2S,3R,4S,5S)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol
CID 25173432
(2R,3S,4R,5R)-3-fluoro-5-(hydroxymethyl)oxolane-2,4-diol
CID 18665788
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(3R,4S,5R,6S)-5-(18F)fluoro-6-methyloxane-2,3,4-triol
CID 167601278
(2S,3S,4S,5R,6R)-2-(fluoromethyl)-6-[(2S,3S,4R,5R,6S)-2-(fluoromethyl)-4,5,6-trihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 91527553

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R,6R)-5-fluoro-6-(fluoromethyl)oxane-2,3,4-triol?
The IUPAC name of (3R,4R,5R,6R)-5-fluoro-6-(fluoromethyl)oxane-2,3,4-triol (CID 55219287) is (3R,4R,5R,6R)-5-fluoro-6-(fluoromethyl)oxane-2,3,4-triol.
What is the SMILES notation for (3R,4R,5R,6R)-5-fluoro-6-(fluoromethyl)oxane-2,3,4-triol?
The canonical SMILES for (3R,4R,5R,6R)-5-fluoro-6-(fluoromethyl)oxane-2,3,4-triol is OC1O[C@H](CF)[C@H](F)[C@H](O)[C@H]1O.
What is the InChIKey of (3R,4R,5R,6R)-5-fluoro-6-(fluoromethyl)oxane-2,3,4-triol?
The InChIKey is QTIKECPWBXHCKM-SVZMEOIVSA-N. The full InChI is InChI=1S/C6H10F2O4/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,9-11H,1H2/t2-,3+,4+,5-,6?/m1/s1.
What are the key properties of (3R,4R,5R,6R)-5-fluoro-6-(fluoromethyl)oxane-2,3,4-triol?
(3R,4R,5R,6R)-5-fluoro-6-(fluoromethyl)oxane-2,3,4-triol has a molecular weight of 184.14 g/mol, XLogP of -1.27, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R,6R)-5-fluoro-6-(fluoromethyl)oxane-2,3,4-triol is sourced from PubChem (CID 55219287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).