3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propane-1,2-diol

C8H10F8O3 — CID 14909231

IUPAC3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propane-1,2-diol
SMILESOCC(O)COCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H10F8O3/c9-5(10)7(13,14)8(15,16)6(11,12)3-19-2-4(18)1-17/h4-5,17-18H,1-3H2
InChIKeyXQNPGKQYINWYIF-UHFFFAOYSA-N
MW306.15 g/mol
LogP1.53
Rot. Bonds8

About 3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propane-1,2-diol

3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propane-1,2-diol (PubChem CID 14909231) has the molecular formula C8H10F8O3 and a molecular weight of 306.15 g/mol. Its IUPAC name is 3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propane-1,2-diol
PubChem CID14909231
Molecular FormulaC8H10F8O3
Molecular Weight306.15 g/mol
Exact Mass306.05
IUPAC Name3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propane-1,2-diol
SMILESOCC(O)COCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H10F8O3/c9-5(10)7(13,14)8(15,16)6(11,12)3-19-2-4(18)1-17/h4-5,17-18H,1-3H2
InChIKeyXQNPGKQYINWYIF-UHFFFAOYSA-N
XLogP1.53
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propane-1,2-diol?
The IUPAC name of 3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propane-1,2-diol (CID 14909231) is 3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propane-1,2-diol.
What is the SMILES notation for 3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propane-1,2-diol?
The canonical SMILES for 3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propane-1,2-diol is OCC(O)COCC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propane-1,2-diol?
The InChIKey is XQNPGKQYINWYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F8O3/c9-5(10)7(13,14)8(15,16)6(11,12)3-19-2-4(18)1-17/h4-5,17-18H,1-3H2.
What are the key properties of 3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propane-1,2-diol?
3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propane-1,2-diol has a molecular weight of 306.15 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propane-1,2-diol is sourced from PubChem (CID 14909231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).