3-[2,2-difluoro-2-(2-hydroxyethoxy)ethoxy]propane-1,2-diol

C7H14F2O5 — CID 23519582

IUPAC3-[2,2-difluoro-2-(2-hydroxyethoxy)ethoxy]propane-1,2-diol
SMILESOCCOC(F)(F)COCC(O)CO
InChIInChI=1S/C7H14F2O5/c8-7(9,14-2-1-10)5-13-4-6(12)3-11/h6,10-12H,1-5H2
InChIKeyKCSNMGXWQGAXSB-UHFFFAOYSA-N
MW216.18 g/mol
LogP-1.04
Rot. Bonds8

About 3-[2,2-difluoro-2-(2-hydroxyethoxy)ethoxy]propane-1,2-diol

3-[2,2-difluoro-2-(2-hydroxyethoxy)ethoxy]propane-1,2-diol (PubChem CID 23519582) has the molecular formula C7H14F2O5 and a molecular weight of 216.18 g/mol. Its IUPAC name is 3-[2,2-difluoro-2-(2-hydroxyethoxy)ethoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[2,2-difluoro-2-(2-hydroxyethoxy)ethoxy]propane-1,2-diol
PubChem CID23519582
Molecular FormulaC7H14F2O5
Molecular Weight216.18 g/mol
Exact Mass216.08
IUPAC Name3-[2,2-difluoro-2-(2-hydroxyethoxy)ethoxy]propane-1,2-diol
SMILESOCCOC(F)(F)COCC(O)CO
InChIInChI=1S/C7H14F2O5/c8-7(9,14-2-1-10)5-13-4-6(12)3-11/h6,10-12H,1-5H2
InChIKeyKCSNMGXWQGAXSB-UHFFFAOYSA-N
XLogP-1.04
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoro-2-(2-hydroxyethoxy)ethoxy]propane-1,2-diol?
The IUPAC name of 3-[2,2-difluoro-2-(2-hydroxyethoxy)ethoxy]propane-1,2-diol (CID 23519582) is 3-[2,2-difluoro-2-(2-hydroxyethoxy)ethoxy]propane-1,2-diol.
What is the SMILES notation for 3-[2,2-difluoro-2-(2-hydroxyethoxy)ethoxy]propane-1,2-diol?
The canonical SMILES for 3-[2,2-difluoro-2-(2-hydroxyethoxy)ethoxy]propane-1,2-diol is OCCOC(F)(F)COCC(O)CO.
What is the InChIKey of 3-[2,2-difluoro-2-(2-hydroxyethoxy)ethoxy]propane-1,2-diol?
The InChIKey is KCSNMGXWQGAXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2O5/c8-7(9,14-2-1-10)5-13-4-6(12)3-11/h6,10-12H,1-5H2.
What are the key properties of 3-[2,2-difluoro-2-(2-hydroxyethoxy)ethoxy]propane-1,2-diol?
3-[2,2-difluoro-2-(2-hydroxyethoxy)ethoxy]propane-1,2-diol has a molecular weight of 216.18 g/mol, XLogP of -1.04, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoro-2-(2-hydroxyethoxy)ethoxy]propane-1,2-diol is sourced from PubChem (CID 23519582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).