2,2-difluoroethoxymethanediol

C3H6F2O3 — CID 166826633

IUPAC2,2-difluoroethoxymethanediol
SMILESOC(O)OCC(F)F
InChIInChI=1S/C3H6F2O3/c4-2(5)1-8-3(6)7/h2-3,6-7H,1H2
InChIKeyOOTZAXNYERITSI-UHFFFAOYSA-N
MW128.07 g/mol
LogP-0.46
Rot. Bonds3

About 2,2-difluoroethoxymethanediol

2,2-difluoroethoxymethanediol (PubChem CID 166826633) has the molecular formula C3H6F2O3 and a molecular weight of 128.07 g/mol. Its IUPAC name is 2,2-difluoroethoxymethanediol.

Molecular Properties

Compound Name2,2-difluoroethoxymethanediol
PubChem CID166826633
Molecular FormulaC3H6F2O3
Molecular Weight128.07 g/mol
Exact Mass128.03
IUPAC Name2,2-difluoroethoxymethanediol
SMILESOC(O)OCC(F)F
InChIInChI=1S/C3H6F2O3/c4-2(5)1-8-3(6)7/h2-3,6-7H,1H2
InChIKeyOOTZAXNYERITSI-UHFFFAOYSA-N
XLogP-0.46
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.07
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethoxymethanediol?
The IUPAC name of 2,2-difluoroethoxymethanediol (CID 166826633) is 2,2-difluoroethoxymethanediol.
What is the SMILES notation for 2,2-difluoroethoxymethanediol?
The canonical SMILES for 2,2-difluoroethoxymethanediol is OC(O)OCC(F)F.
What is the InChIKey of 2,2-difluoroethoxymethanediol?
The InChIKey is OOTZAXNYERITSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2O3/c4-2(5)1-8-3(6)7/h2-3,6-7H,1H2.
What are the key properties of 2,2-difluoroethoxymethanediol?
2,2-difluoroethoxymethanediol has a molecular weight of 128.07 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethoxymethanediol is sourced from PubChem (CID 166826633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).