(E)-2,3-difluorobut-2-ene-1,4-diol

C4H6F2O2 — CID 165358229

IUPAC(E)-2,3-difluorobut-2-ene-1,4-diol
SMILESOC/C(F)=C(\F)CO
InChIInChI=1S/C4H6F2O2/c5-3(1-7)4(6)2-8/h7-8H,1-2H2/b4-3+
InChIKeyLKWLDHFUFZAPTA-ONEGZZNKSA-N
MW124.09 g/mol
LogP0.12
Rot. Bonds2

About (E)-2,3-difluorobut-2-ene-1,4-diol

(E)-2,3-difluorobut-2-ene-1,4-diol (PubChem CID 165358229) has the molecular formula C4H6F2O2 and a molecular weight of 124.09 g/mol. Its IUPAC name is (E)-2,3-difluorobut-2-ene-1,4-diol.

Molecular Properties

Compound Name(E)-2,3-difluorobut-2-ene-1,4-diol
PubChem CID165358229
Molecular FormulaC4H6F2O2
Molecular Weight124.09 g/mol
Exact Mass124.03
IUPAC Name(E)-2,3-difluorobut-2-ene-1,4-diol
SMILESOC/C(F)=C(\F)CO
InChIInChI=1S/C4H6F2O2/c5-3(1-7)4(6)2-8/h7-8H,1-2H2/b4-3+
InChIKeyLKWLDHFUFZAPTA-ONEGZZNKSA-N
XLogP0.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.09
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2,3-difluorobut-2-ene-1,4-diol?
The IUPAC name of (E)-2,3-difluorobut-2-ene-1,4-diol (CID 165358229) is (E)-2,3-difluorobut-2-ene-1,4-diol.
What is the SMILES notation for (E)-2,3-difluorobut-2-ene-1,4-diol?
The canonical SMILES for (E)-2,3-difluorobut-2-ene-1,4-diol is OC/C(F)=C(\F)CO.
What is the InChIKey of (E)-2,3-difluorobut-2-ene-1,4-diol?
The InChIKey is LKWLDHFUFZAPTA-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H6F2O2/c5-3(1-7)4(6)2-8/h7-8H,1-2H2/b4-3+.
What are the key properties of (E)-2,3-difluorobut-2-ene-1,4-diol?
(E)-2,3-difluorobut-2-ene-1,4-diol has a molecular weight of 124.09 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-difluorobut-2-ene-1,4-diol is sourced from PubChem (CID 165358229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).