(2R,4R,5R)-3,3-difluorooxane-2,4,5-triol

C5H8F2O4 — CID 10855910

IUPAC(2R,4R,5R)-3,3-difluorooxane-2,4,5-triol
SMILESO[C@@H]1CO[C@@H](O)C(F)(F)[C@@H]1O
InChIInChI=1S/C5H8F2O4/c6-5(7)3(9)2(8)1-11-4(5)10/h2-4,8-10H,1H2/t2-,3-,4-/m1/s1
InChIKeyBPUVAOQHZHKCNH-BXXZVTAOSA-N
MW170.11 g/mol
LogP-1.31
Rot. Bonds

About (2R,4R,5R)-3,3-difluorooxane-2,4,5-triol

(2R,4R,5R)-3,3-difluorooxane-2,4,5-triol (PubChem CID 10855910) has the molecular formula C5H8F2O4 and a molecular weight of 170.11 g/mol. Its IUPAC name is (2R,4R,5R)-3,3-difluorooxane-2,4,5-triol.

Molecular Properties

Compound Name(2R,4R,5R)-3,3-difluorooxane-2,4,5-triol
PubChem CID10855910
Molecular FormulaC5H8F2O4
Molecular Weight170.11 g/mol
Exact Mass170.04
IUPAC Name(2R,4R,5R)-3,3-difluorooxane-2,4,5-triol
SMILESO[C@@H]1CO[C@@H](O)C(F)(F)[C@@H]1O
InChIInChI=1S/C5H8F2O4/c6-5(7)3(9)2(8)1-11-4(5)10/h2-4,8-10H,1H2/t2-,3-,4-/m1/s1
InChIKeyBPUVAOQHZHKCNH-BXXZVTAOSA-N
XLogP-1.31
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.11
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-3,3-difluorooxane-2,4,5-triol?
The IUPAC name of (2R,4R,5R)-3,3-difluorooxane-2,4,5-triol (CID 10855910) is (2R,4R,5R)-3,3-difluorooxane-2,4,5-triol.
What is the SMILES notation for (2R,4R,5R)-3,3-difluorooxane-2,4,5-triol?
The canonical SMILES for (2R,4R,5R)-3,3-difluorooxane-2,4,5-triol is O[C@@H]1CO[C@@H](O)C(F)(F)[C@@H]1O.
What is the InChIKey of (2R,4R,5R)-3,3-difluorooxane-2,4,5-triol?
The InChIKey is BPUVAOQHZHKCNH-BXXZVTAOSA-N. The full InChI is InChI=1S/C5H8F2O4/c6-5(7)3(9)2(8)1-11-4(5)10/h2-4,8-10H,1H2/t2-,3-,4-/m1/s1.
What are the key properties of (2R,4R,5R)-3,3-difluorooxane-2,4,5-triol?
(2R,4R,5R)-3,3-difluorooxane-2,4,5-triol has a molecular weight of 170.11 g/mol, XLogP of -1.31, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-3,3-difluorooxane-2,4,5-triol is sourced from PubChem (CID 10855910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).