(3R,4S)-2,2,5,5-tetrafluorooxolane-3,4-diol

C4H4F4O3 — CID 12663936

IUPAC(3R,4S)-2,2,5,5-tetrafluorooxolane-3,4-diol
SMILESO[C@@H]1[C@H](O)C(F)(F)OC1(F)F
InChIInChI=1S/C4H4F4O3/c5-3(6)1(9)2(10)4(7,8)11-3/h1-2,9-10H/t1-,2+
InChIKeyKSQYCVXAOJKYJB-XIXRPRMCSA-N
MW176.06 g/mol
LogP-0.08
Rot. Bonds

About (3R,4S)-2,2,5,5-tetrafluorooxolane-3,4-diol

(3R,4S)-2,2,5,5-tetrafluorooxolane-3,4-diol (PubChem CID 12663936) has the molecular formula C4H4F4O3 and a molecular weight of 176.06 g/mol. Its IUPAC name is (3R,4S)-2,2,5,5-tetrafluorooxolane-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-2,2,5,5-tetrafluorooxolane-3,4-diol
PubChem CID12663936
Molecular FormulaC4H4F4O3
Molecular Weight176.06 g/mol
Exact Mass176.01
IUPAC Name(3R,4S)-2,2,5,5-tetrafluorooxolane-3,4-diol
SMILESO[C@@H]1[C@H](O)C(F)(F)OC1(F)F
InChIInChI=1S/C4H4F4O3/c5-3(6)1(9)2(10)4(7,8)11-3/h1-2,9-10H/t1-,2+
InChIKeyKSQYCVXAOJKYJB-XIXRPRMCSA-N
XLogP-0.08
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.06
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-2,2,5,5-tetrafluorooxolane-3,4-diol?
The IUPAC name of (3R,4S)-2,2,5,5-tetrafluorooxolane-3,4-diol (CID 12663936) is (3R,4S)-2,2,5,5-tetrafluorooxolane-3,4-diol.
What is the SMILES notation for (3R,4S)-2,2,5,5-tetrafluorooxolane-3,4-diol?
The canonical SMILES for (3R,4S)-2,2,5,5-tetrafluorooxolane-3,4-diol is O[C@@H]1[C@H](O)C(F)(F)OC1(F)F.
What is the InChIKey of (3R,4S)-2,2,5,5-tetrafluorooxolane-3,4-diol?
The InChIKey is KSQYCVXAOJKYJB-XIXRPRMCSA-N. The full InChI is InChI=1S/C4H4F4O3/c5-3(6)1(9)2(10)4(7,8)11-3/h1-2,9-10H/t1-,2+.
What are the key properties of (3R,4S)-2,2,5,5-tetrafluorooxolane-3,4-diol?
(3R,4S)-2,2,5,5-tetrafluorooxolane-3,4-diol has a molecular weight of 176.06 g/mol, XLogP of -0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-2,2,5,5-tetrafluorooxolane-3,4-diol is sourced from PubChem (CID 12663936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).