3-[4-(2,3-dihydroxypropoxy)-2,2,3,3-tetrafluorobutoxy]propane-1,2-diol

C10H18F4O6 — CID 134575844

IUPAC3-[4-(2,3-dihydroxypropoxy)-2,2,3,3-tetrafluorobutoxy]propane-1,2-diol
SMILESOCC(O)COCC(F)(F)C(F)(F)COCC(O)CO
InChIInChI=1S/C10H18F4O6/c11-9(12,5-19-3-7(17)1-15)10(13,14)6-20-4-8(18)2-16/h7-8,15-18H,1-6H2
InChIKeyGJZFCXNWPHXBDZ-UHFFFAOYSA-N
MW310.24 g/mol
LogP-1.00
Rot. Bonds11

About 3-[4-(2,3-dihydroxypropoxy)-2,2,3,3-tetrafluorobutoxy]propane-1,2-diol

3-[4-(2,3-dihydroxypropoxy)-2,2,3,3-tetrafluorobutoxy]propane-1,2-diol (PubChem CID 134575844) has the molecular formula C10H18F4O6 and a molecular weight of 310.24 g/mol. Its IUPAC name is 3-[4-(2,3-dihydroxypropoxy)-2,2,3,3-tetrafluorobutoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-(2,3-dihydroxypropoxy)-2,2,3,3-tetrafluorobutoxy]propane-1,2-diol
PubChem CID134575844
Molecular FormulaC10H18F4O6
Molecular Weight310.24 g/mol
Exact Mass310.10
IUPAC Name3-[4-(2,3-dihydroxypropoxy)-2,2,3,3-tetrafluorobutoxy]propane-1,2-diol
SMILESOCC(O)COCC(F)(F)C(F)(F)COCC(O)CO
InChIInChI=1S/C10H18F4O6/c11-9(12,5-19-3-7(17)1-15)10(13,14)6-20-4-8(18)2-16/h7-8,15-18H,1-6H2
InChIKeyGJZFCXNWPHXBDZ-UHFFFAOYSA-N
XLogP-1.00
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 5-1.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-[4-(2,3-dihydroxypropoxy)-2,2,3,3-tetrafluorobutoxy]propane-1,2-diol?
The IUPAC name of 3-[4-(2,3-dihydroxypropoxy)-2,2,3,3-tetrafluorobutoxy]propane-1,2-diol (CID 134575844) is 3-[4-(2,3-dihydroxypropoxy)-2,2,3,3-tetrafluorobutoxy]propane-1,2-diol.
What is the SMILES notation for 3-[4-(2,3-dihydroxypropoxy)-2,2,3,3-tetrafluorobutoxy]propane-1,2-diol?
The canonical SMILES for 3-[4-(2,3-dihydroxypropoxy)-2,2,3,3-tetrafluorobutoxy]propane-1,2-diol is OCC(O)COCC(F)(F)C(F)(F)COCC(O)CO.
What is the InChIKey of 3-[4-(2,3-dihydroxypropoxy)-2,2,3,3-tetrafluorobutoxy]propane-1,2-diol?
The InChIKey is GJZFCXNWPHXBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F4O6/c11-9(12,5-19-3-7(17)1-15)10(13,14)6-20-4-8(18)2-16/h7-8,15-18H,1-6H2.
What are the key properties of 3-[4-(2,3-dihydroxypropoxy)-2,2,3,3-tetrafluorobutoxy]propane-1,2-diol?
3-[4-(2,3-dihydroxypropoxy)-2,2,3,3-tetrafluorobutoxy]propane-1,2-diol has a molecular weight of 310.24 g/mol, XLogP of -1.00, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dihydroxypropoxy)-2,2,3,3-tetrafluorobutoxy]propane-1,2-diol is sourced from PubChem (CID 134575844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).