1,1-difluoroethane-1,2-diol

C2H4F2O2 — CID 4650299

IUPAC1,1-difluoroethane-1,2-diol
SMILESOCC(O)(F)F
InChIInChI=1S/C2H4F2O2/c3-2(4,6)1-5/h5-6H,1H2
InChIKeyWMNJYQIEUSNQSF-UHFFFAOYSA-N
MW98.05 g/mol
LogP-0.44
Rot. Bonds1

About 1,1-difluoroethane-1,2-diol

1,1-difluoroethane-1,2-diol (PubChem CID 4650299) has the molecular formula C2H4F2O2 and a molecular weight of 98.05 g/mol. Its IUPAC name is 1,1-difluoroethane-1,2-diol.

Molecular Properties

Compound Name1,1-difluoroethane-1,2-diol
PubChem CID4650299
Molecular FormulaC2H4F2O2
Molecular Weight98.05 g/mol
Exact Mass98.02
IUPAC Name1,1-difluoroethane-1,2-diol
SMILESOCC(O)(F)F
InChIInChI=1S/C2H4F2O2/c3-2(4,6)1-5/h5-6H,1H2
InChIKeyWMNJYQIEUSNQSF-UHFFFAOYSA-N
XLogP-0.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.05
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroethane-1,2-diol?
The IUPAC name of 1,1-difluoroethane-1,2-diol (CID 4650299) is 1,1-difluoroethane-1,2-diol.
What is the SMILES notation for 1,1-difluoroethane-1,2-diol?
The canonical SMILES for 1,1-difluoroethane-1,2-diol is OCC(O)(F)F.
What is the InChIKey of 1,1-difluoroethane-1,2-diol?
The InChIKey is WMNJYQIEUSNQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F2O2/c3-2(4,6)1-5/h5-6H,1H2.
What are the key properties of 1,1-difluoroethane-1,2-diol?
1,1-difluoroethane-1,2-diol has a molecular weight of 98.05 g/mol, XLogP of -0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroethane-1,2-diol is sourced from PubChem (CID 4650299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).