2,2-difluoroethenol

C2H2F2O — CID 22970076

IUPAC2,2-difluoroethenol
SMILESOC=C(F)F
InChIInChI=1S/C2H2F2O/c3-2(4)1-5/h1,5H
InChIKeyIUOBGTIBZLEBJJ-UHFFFAOYSA-N
MW80.03 g/mol
LogP1.28
Rot. Bonds

About 2,2-difluoroethenol

2,2-difluoroethenol (PubChem CID 22970076) has the molecular formula C2H2F2O and a molecular weight of 80.03 g/mol. Its IUPAC name is 2,2-difluoroethenol.

Molecular Properties

Compound Name2,2-difluoroethenol
PubChem CID22970076
Molecular FormulaC2H2F2O
Molecular Weight80.03 g/mol
Exact Mass80.01
IUPAC Name2,2-difluoroethenol
SMILESOC=C(F)F
InChIInChI=1S/C2H2F2O/c3-2(4)1-5/h1,5H
InChIKeyIUOBGTIBZLEBJJ-UHFFFAOYSA-N
XLogP1.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.03
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethenol?
The IUPAC name of 2,2-difluoroethenol (CID 22970076) is 2,2-difluoroethenol.
What is the SMILES notation for 2,2-difluoroethenol?
The canonical SMILES for 2,2-difluoroethenol is OC=C(F)F.
What is the InChIKey of 2,2-difluoroethenol?
The InChIKey is IUOBGTIBZLEBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F2O/c3-2(4)1-5/h1,5H.
What are the key properties of 2,2-difluoroethenol?
2,2-difluoroethenol has a molecular weight of 80.03 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethenol is sourced from PubChem (CID 22970076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).