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

C6H10F2O4 — CID 14607363

IUPAC5,6-difluoro-2-(hydroxymethyl)oxane-3,4-diol
SMILESOCC1OC(F)C(F)C(O)C1O
InChIInChI=1S/C6H10F2O4/c7-3-5(11)4(10)2(1-9)12-6(3)8/h2-6,9-11H,1H2
InChIKeyYZRDPODBASCWCK-UHFFFAOYSA-N
MW184.14 g/mol
LogP-1.27
Rot. Bonds1

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

5,6-difluoro-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 14607363) has the molecular formula C6H10F2O4 and a molecular weight of 184.14 g/mol. Its IUPAC name is 5,6-difluoro-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name5,6-difluoro-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID14607363
Molecular FormulaC6H10F2O4
Molecular Weight184.14 g/mol
Exact Mass184.05
IUPAC Name5,6-difluoro-2-(hydroxymethyl)oxane-3,4-diol
SMILESOCC1OC(F)C(F)C(O)C1O
InChIInChI=1S/C6H10F2O4/c7-3-5(11)4(10)2(1-9)12-6(3)8/h2-6,9-11H,1H2
InChIKeyYZRDPODBASCWCK-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of 5,6-difluoro-2-(hydroxymethyl)oxane-3,4-diol (CID 14607363) is 5,6-difluoro-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for 5,6-difluoro-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for 5,6-difluoro-2-(hydroxymethyl)oxane-3,4-diol is OCC1OC(F)C(F)C(O)C1O.
What is the InChIKey of 5,6-difluoro-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is YZRDPODBASCWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O4/c7-3-5(11)4(10)2(1-9)12-6(3)8/h2-6,9-11H,1H2.
What are the key properties of 5,6-difluoro-2-(hydroxymethyl)oxane-3,4-diol?
5,6-difluoro-2-(hydroxymethyl)oxane-3,4-diol 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 5,6-difluoro-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 14607363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).