3-(2,2-difluoro-2-hydroxyethoxy)propane-1,2-diol

C5H10F2O4 — CID 5012076

IUPAC3-(2,2-difluoro-2-hydroxyethoxy)propane-1,2-diol
SMILESOCC(O)COCC(O)(F)F
InChIInChI=1S/C5H10F2O4/c6-5(7,10)3-11-2-4(9)1-8/h4,8-10H,1-3H2
InChIKeyCVSQQINBRIQLGN-UHFFFAOYSA-N
MW172.13 g/mol
LogP-1.06
Rot. Bonds5

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

3-(2,2-difluoro-2-hydroxyethoxy)propane-1,2-diol (PubChem CID 5012076) has the molecular formula C5H10F2O4 and a molecular weight of 172.13 g/mol. Its IUPAC name is 3-(2,2-difluoro-2-hydroxyethoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(2,2-difluoro-2-hydroxyethoxy)propane-1,2-diol
PubChem CID5012076
Molecular FormulaC5H10F2O4
Molecular Weight172.13 g/mol
Exact Mass172.05
IUPAC Name3-(2,2-difluoro-2-hydroxyethoxy)propane-1,2-diol
SMILESOCC(O)COCC(O)(F)F
InChIInChI=1S/C5H10F2O4/c6-5(7,10)3-11-2-4(9)1-8/h4,8-10H,1-3H2
InChIKeyCVSQQINBRIQLGN-UHFFFAOYSA-N
XLogP-1.06
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.13
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoro-2-hydroxyethoxy)propane-1,2-diol?
The IUPAC name of 3-(2,2-difluoro-2-hydroxyethoxy)propane-1,2-diol (CID 5012076) is 3-(2,2-difluoro-2-hydroxyethoxy)propane-1,2-diol.
What is the SMILES notation for 3-(2,2-difluoro-2-hydroxyethoxy)propane-1,2-diol?
The canonical SMILES for 3-(2,2-difluoro-2-hydroxyethoxy)propane-1,2-diol is OCC(O)COCC(O)(F)F.
What is the InChIKey of 3-(2,2-difluoro-2-hydroxyethoxy)propane-1,2-diol?
The InChIKey is CVSQQINBRIQLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2O4/c6-5(7,10)3-11-2-4(9)1-8/h4,8-10H,1-3H2.
What are the key properties of 3-(2,2-difluoro-2-hydroxyethoxy)propane-1,2-diol?
3-(2,2-difluoro-2-hydroxyethoxy)propane-1,2-diol has a molecular weight of 172.13 g/mol, XLogP of -1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoro-2-hydroxyethoxy)propane-1,2-diol is sourced from PubChem (CID 5012076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).