(3S,4S)-2,2,4,5,5-pentafluorooxolan-3-ol

C4H3F5O2 — CID 23261245

IUPAC(3S,4S)-2,2,4,5,5-pentafluorooxolan-3-ol
SMILESO[C@H]1[C@H](F)C(F)(F)OC1(F)F
InChIInChI=1S/C4H3F5O2/c5-1-2(10)4(8,9)11-3(1,6)7/h1-2,10H/t1-,2-/m0/s1
InChIKeyVDARFOMFFZIBAF-LWMBPPNESA-N
MW178.06 g/mol
LogP0.90
Rot. Bonds

About (3S,4S)-2,2,4,5,5-pentafluorooxolan-3-ol

(3S,4S)-2,2,4,5,5-pentafluorooxolan-3-ol (PubChem CID 23261245) has the molecular formula C4H3F5O2 and a molecular weight of 178.06 g/mol. Its IUPAC name is (3S,4S)-2,2,4,5,5-pentafluorooxolan-3-ol.

Molecular Properties

Compound Name(3S,4S)-2,2,4,5,5-pentafluorooxolan-3-ol
PubChem CID23261245
Molecular FormulaC4H3F5O2
Molecular Weight178.06 g/mol
Exact Mass178.01
IUPAC Name(3S,4S)-2,2,4,5,5-pentafluorooxolan-3-ol
SMILESO[C@H]1[C@H](F)C(F)(F)OC1(F)F
InChIInChI=1S/C4H3F5O2/c5-1-2(10)4(8,9)11-3(1,6)7/h1-2,10H/t1-,2-/m0/s1
InChIKeyVDARFOMFFZIBAF-LWMBPPNESA-N
XLogP0.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.06
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-2,2,4,5,5-pentafluorooxolan-3-ol?
The IUPAC name of (3S,4S)-2,2,4,5,5-pentafluorooxolan-3-ol (CID 23261245) is (3S,4S)-2,2,4,5,5-pentafluorooxolan-3-ol.
What is the SMILES notation for (3S,4S)-2,2,4,5,5-pentafluorooxolan-3-ol?
The canonical SMILES for (3S,4S)-2,2,4,5,5-pentafluorooxolan-3-ol is O[C@H]1[C@H](F)C(F)(F)OC1(F)F.
What is the InChIKey of (3S,4S)-2,2,4,5,5-pentafluorooxolan-3-ol?
The InChIKey is VDARFOMFFZIBAF-LWMBPPNESA-N. The full InChI is InChI=1S/C4H3F5O2/c5-1-2(10)4(8,9)11-3(1,6)7/h1-2,10H/t1-,2-/m0/s1.
What are the key properties of (3S,4S)-2,2,4,5,5-pentafluorooxolan-3-ol?
(3S,4S)-2,2,4,5,5-pentafluorooxolan-3-ol has a molecular weight of 178.06 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-2,2,4,5,5-pentafluorooxolan-3-ol is sourced from PubChem (CID 23261245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).