(2R,5S)-5-(1,2-difluoroethyl)oxolane-2,3,4-triol

C6H10F2O4 — CID 135084147

IUPAC(2R,5S)-5-(1,2-difluoroethyl)oxolane-2,3,4-triol
SMILESOC1C(O)[C@H](O)O[C@@H]1C(F)CF
InChIInChI=1S/C6H10F2O4/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-6,9-11H,1H2/t2?,3?,4?,5-,6-/m1/s1
InChIKeyHKBKLGXMKCNNQI-KZQNILFTSA-N
MW184.14 g/mol
LogP-1.27
Rot. Bonds2

About (2R,5S)-5-(1,2-difluoroethyl)oxolane-2,3,4-triol

(2R,5S)-5-(1,2-difluoroethyl)oxolane-2,3,4-triol (PubChem CID 135084147) has the molecular formula C6H10F2O4 and a molecular weight of 184.14 g/mol. Its IUPAC name is (2R,5S)-5-(1,2-difluoroethyl)oxolane-2,3,4-triol.

Molecular Properties

Compound Name(2R,5S)-5-(1,2-difluoroethyl)oxolane-2,3,4-triol
PubChem CID135084147
Molecular FormulaC6H10F2O4
Molecular Weight184.14 g/mol
Exact Mass184.05
IUPAC Name(2R,5S)-5-(1,2-difluoroethyl)oxolane-2,3,4-triol
SMILESOC1C(O)[C@H](O)O[C@@H]1C(F)CF
InChIInChI=1S/C6H10F2O4/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-6,9-11H,1H2/t2?,3?,4?,5-,6-/m1/s1
InChIKeyHKBKLGXMKCNNQI-KZQNILFTSA-N
XLogP-1.27
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
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 (2R,5S)-5-(1,2-difluoroethyl)oxolane-2,3,4-triol?
The IUPAC name of (2R,5S)-5-(1,2-difluoroethyl)oxolane-2,3,4-triol (CID 135084147) is (2R,5S)-5-(1,2-difluoroethyl)oxolane-2,3,4-triol.
What is the SMILES notation for (2R,5S)-5-(1,2-difluoroethyl)oxolane-2,3,4-triol?
The canonical SMILES for (2R,5S)-5-(1,2-difluoroethyl)oxolane-2,3,4-triol is OC1C(O)[C@H](O)O[C@@H]1C(F)CF.
What is the InChIKey of (2R,5S)-5-(1,2-difluoroethyl)oxolane-2,3,4-triol?
The InChIKey is HKBKLGXMKCNNQI-KZQNILFTSA-N. The full InChI is InChI=1S/C6H10F2O4/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-6,9-11H,1H2/t2?,3?,4?,5-,6-/m1/s1.
What are the key properties of (2R,5S)-5-(1,2-difluoroethyl)oxolane-2,3,4-triol?
(2R,5S)-5-(1,2-difluoroethyl)oxolane-2,3,4-triol has a molecular weight of 184.14 g/mol, XLogP of -1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(1,2-difluoroethyl)oxolane-2,3,4-triol is sourced from PubChem (CID 135084147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).