(2S,3R)-2,3-difluorobutane-1,4-diol

C4H8F2O2 — CID 91311626

IUPAC(2S,3R)-2,3-difluorobutane-1,4-diol
SMILESOC[C@@H](F)[C@@H](F)CO
InChIInChI=1S/C4H8F2O2/c5-3(1-7)4(6)2-8/h3-4,7-8H,1-2H2/t3-,4+
InChIKeyKOSDEAOWYAXZJO-ZXZARUISSA-N
MW126.10 g/mol
LogP-0.35
Rot. Bonds3

About (2S,3R)-2,3-difluorobutane-1,4-diol

(2S,3R)-2,3-difluorobutane-1,4-diol (PubChem CID 91311626) has the molecular formula C4H8F2O2 and a molecular weight of 126.10 g/mol. Its IUPAC name is (2S,3R)-2,3-difluorobutane-1,4-diol.

Molecular Properties

Compound Name(2S,3R)-2,3-difluorobutane-1,4-diol
PubChem CID91311626
Molecular FormulaC4H8F2O2
Molecular Weight126.10 g/mol
Exact Mass126.05
IUPAC Name(2S,3R)-2,3-difluorobutane-1,4-diol
SMILESOC[C@@H](F)[C@@H](F)CO
InChIInChI=1S/C4H8F2O2/c5-3(1-7)4(6)2-8/h3-4,7-8H,1-2H2/t3-,4+
InChIKeyKOSDEAOWYAXZJO-ZXZARUISSA-N
XLogP-0.35
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.10
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-difluorobutane-1,4-diol?
The IUPAC name of (2S,3R)-2,3-difluorobutane-1,4-diol (CID 91311626) is (2S,3R)-2,3-difluorobutane-1,4-diol.
What is the SMILES notation for (2S,3R)-2,3-difluorobutane-1,4-diol?
The canonical SMILES for (2S,3R)-2,3-difluorobutane-1,4-diol is OC[C@@H](F)[C@@H](F)CO.
What is the InChIKey of (2S,3R)-2,3-difluorobutane-1,4-diol?
The InChIKey is KOSDEAOWYAXZJO-ZXZARUISSA-N. The full InChI is InChI=1S/C4H8F2O2/c5-3(1-7)4(6)2-8/h3-4,7-8H,1-2H2/t3-,4+.
What are the key properties of (2S,3R)-2,3-difluorobutane-1,4-diol?
(2S,3R)-2,3-difluorobutane-1,4-diol has a molecular weight of 126.10 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-difluorobutane-1,4-diol is sourced from PubChem (CID 91311626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).